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Articles de revues sur le sujet « Aromatic chemistry »

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Auteur : Grafiati
Publié le 25 mai 2024

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1

Yan, Yingying, David Cabrera-Perez, Jintai Lin, Andrea Pozzer, Lu Hu, Dylan B. Millet, William C. Porter et Jos Lelieveld. « Global tropospheric effects of aromatic chemistry with the SAPRC-11 mechanism implemented in GEOS-Chem version 9-02 ». Geoscientific Model Development 12, no 1 (4 janvier 2019) : 111–30. http://dx.doi.org/10.5194/gmd-12-111-2019.

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Abstract. The Goddard Earth Observing System with chemistry (GEOS-Chem) model has been updated with the State-wide Air Pollution Research Center version 11 (SAPRC-11) aromatics chemical mechanism, with the purpose of evaluating global and regional effects of the most abundant aromatics (benzene, toluene, xylenes) on the chemical species important for tropospheric oxidation capacity. The model evaluation based on surface and aircraft observations indicates good agreement for aromatics and ozone. A comparison between scenarios in GEOS-Chem with simplified aromatic chemistry (as in the standard setup, with no ozone formation from related peroxy radicals or recycling of NOx) and with the SAPRC-11 scheme reveals relatively slight changes in ozone, the hydroxyl radical, and nitrogen oxides on a global mean basis (1 %–4 %), although remarkable regional differences (5 %–20 %) exist near the source regions. NOx decreases over the source regions and increases in the remote troposphere, due mainly to more efficient transport of peroxyacetyl nitrate (PAN), which is increased with the SAPRC aromatic chemistry. Model ozone mixing ratios with the updated aromatic chemistry increase by up to 5 ppb (more than 10 %), especially in industrially polluted regions. The ozone change is partly due to the direct influence of aromatic oxidation products on ozone production rates, and in part to the altered spatial distribution of NOx that enhances the tropospheric ozone production efficiency. Improved representation of aromatics is important to simulate the tropospheric oxidation.
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Lu, Zhengyu, Qin Zhu, Yuanting Cai, Zhixin Chen, Kaiyue Zhuo, Jun Zhu, Hong Zhang et Haiping Xia. « Access to tetracyclic aromatics with bridgehead metals via metalla-click reactions ». Science Advances 6, no 3 (janvier 2020) : eaay2535. http://dx.doi.org/10.1126/sciadv.aay2535.

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The never-ending pursuits for exploring aromatic molecular architectures result in the large libraries of aromatics with fascinating structures, which have greatly broadened the scope of aromaticity. Despite extensive efforts that have been paid to develop aromatic frameworks, the construction of polycyclic aromatics that share a bridgehead atom with more than three rings has never been accomplished. Here, an unprecedented family of aromatics, in which a metal center shared by 4 five-membered aromatic rings, has been achieved by using the metalla-click reactions with excellent yields and remarkable regioselectivity. The distinctive tetracyclic aromatics exhibit a broad absorption in the ultraviolet-visible near-infrared region and excellent thermal stability in air, enabling their potential applications in photoelectric materials and biomedicine. This study now makes it possible to incorporate four aromatic rings with one common sharing metal center by a straightforward strategy that would promote further development of previously unknown polycyclic complex motifs in aromatic chemistry.
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Plater, M. John. « 4 Aromatic chemistry ». Annual Reports Section "B" (Organic Chemistry) 96 (2000) : 131–55. http://dx.doi.org/10.1039/b002149k.

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Toyota, Shinji, Masahiko Iyoda et Fumio Toda. « 7 Aromatic chemistry ». Annu. Rep. Prog. Chem., Sect. B : Org. Chem. 98 (2002) : 359–407. http://dx.doi.org/10.1039/b111467k.

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Yeston, J. « CHEMISTRY : Aromatic Surprise ». Science 319, no 5860 (11 janvier 2008) : 137d. http://dx.doi.org/10.1126/science.319.5860.137d.

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6

Jones, R. C. F. « Aromatic heterocyclic chemistry ». Trends in Pharmacological Sciences 13 (janvier 1992) : 417–18. http://dx.doi.org/10.1016/0165-6147(92)90127-r.

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Newman, John W., et I. C. Lewis. « Industrial Aromatic Chemistry ». Carbon 27, no 3 (1989) : 503–4. http://dx.doi.org/10.1016/0008-6223(89)90089-4.

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Bosdet, Michael J. D., et Warren E. Piers. « B-N as a C-C substitute in aromatic systems ». Canadian Journal of Chemistry 87, no 1 (1 janvier 2009) : 8–29. http://dx.doi.org/10.1139/v08-110.

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The substitution of isoelectronic B–N units for C–C units in aromatic hydrocarbons produces novel heterocycles with structural similarities to the all-carbon frameworks, but with fundamentally altered electronic properties and chemistry. Since the pioneering work of Dewar some 50 years ago, the relationship between B–N and C–C and the wealth of parent all-carbon aromatics has captured the imagination of organic, inorganic, materials, and computational chemists alike, particularly in recent years. New applications in biological chemistry, new materials, and novel ligands for transition-metal complexes have emerged from these studies. This review is aimed at surveying activity in the area in the past couple of decades. Its organization is based on ring size and type of the all-carbon or heterocyclic subunit that the B–N analog is derived from. Structural aspects pertaining to the retention of aromaticity are emphasized, along with delineation of significant differences in physical properties of the B–N compound as compared to the C–C parent.Key words: boron-nitrogen heterocycles, aromaticity, organic materials, main-group chemistry.
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9

Parikh, Harshal M., Harvey E. Jeffries, Ken G. Sexton, Deborah J. Luecken, Richard M. Kamens et William Vizuete. « Evaluation of aromatic oxidation reactions in seven chemical mechanisms with an outdoor chamber ». Environmental Chemistry 10, no 3 (2013) : 245. http://dx.doi.org/10.1071/en13039.

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Environmental context Regulatory air quality models used to develop strategies to reduce ozone and other pollutants must be able to accurately predict ozone produced from aromatic hydrocarbons. In urban areas, major sources of aromatic hydrocarbons are gasoline and diesel-powered vehicles. Our findings show that the representation of aromatic hydrocarbon chemistry in air quality models is an area of high uncertainty Abstract Simulations using seven chemical mechanisms are intercompared against O3, NOx and hydrocarbon data from photooxidation experiments conducted at the University of North Carolina outdoor smog chamber. The mechanisms include CB4–2002, CB05, CB05-TU, a CB05 variant with semi-explicit aromatic chemistry (CB05RMK), SAPRC07, CS07 and MCMv3.1. The experiments include aromatics, unsaturated dicarbonyls and volatile organic compound (VOC) mixtures representing a wide range of urban environments with relevant hydrocarbon species. In chamber simulations the sunlight is characterised using new solar radiation modelling software. A new heterogeneous chamber wall mechanism is also presented with revised chamber wall chemical processes. Simulations from all mechanisms, except MCMv3.1, show median peak O3 concentration relative errors of less than 25% for both aromatic and VOC mixture experiments. Although MCMv3.1 largely overpredicts peak O3 levels, it performs relatively better in predicting the peak NO2 concentration. For aromatic experiments, all mechanisms except CB4–2002, largely underpredict the NO–NO2 crossover time and over-predict both the absolute NO degradation slope and the slope of NO2 concentration rise. This suggests a major problem of a faster and earlier NO to NO2 oxidation rate across all the newer mechanisms. Results from individual aromatic and unsaturated dicarbonyl experiments illustrate the unique photooxidation chemistry and O3 production of several aromatic ring-opening products. The representation of these products as a single mechanism species in CB4–2002, CB05 and CB05-TU is not adequate to capture the O3 temporal profile. In summary, future updates to chemical mechanisms should focus on the chemistry of aromatic ring-opening products.
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Krompiec, Stanisław, Aneta Kurpanik-Wójcik, Marek Matussek, Bogumiła Gołek, Angelika Mieszczanin et Aleksandra Fijołek. « Diels–Alder Cycloaddition with CO, CO2, SO2, or N2 Extrusion : A Powerful Tool for Material Chemistry ». Materials 15, no 1 (27 décembre 2021) : 172. http://dx.doi.org/10.3390/ma15010172.

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Phenyl, naphthyl, polyarylphenyl, coronene, and other aromatic and polyaromatic moieties primarily influence the final materials’ properties. One of the synthetic tools used to implement (hetero)aromatic moieties into final structures is Diels–Alder cycloaddition (DAC), typically combined with Scholl dehydrocondensation. Substituted 2-pyranones, 1,1-dioxothiophenes, and, especially, 1,3-cyclopentadienones are valuable substrates for [4 + 2] cycloaddition, leading to multisubstituted derivatives of benzene, naphthalene, and other aromatics. Cycloadditions of dienes can be carried out with extrusion of carbon dioxide, carbon oxide, or sulphur dioxide. When pyranones, dioxothiophenes, or cyclopentadienones and DA cycloaddition are aided with acetylenes including masked ones, conjugated or isolated diynes, or polyynes and arynes, aromatic systems are obtained. This review covers the development and the current state of knowledge regarding thermal DA cycloaddition of dienes mentioned above and dienophiles leading to (hetero)aromatics via CO, CO2, or SO2 extrusion. Particular attention was paid to the role that introduced aromatic moieties play in designing molecular structures with expected properties. Undoubtedly, the DAC variants described in this review, combined with other modern synthetic tools, constitute a convenient and efficient way of obtaining functionalized nanomaterials, continually showing the potential to impact materials sciences and new technologies in the nearest future.
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11

Wang, Miaomiao, et Yanlan Wang. « Advances for Triangular and Sandwich-Shaped All-Metal Aromatics ». Molecules 29, no 4 (7 février 2024) : 763. http://dx.doi.org/10.3390/molecules29040763.

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Much experimental work has been contributed to all-metal σ, π and δ-aromaticity among transition metals, semimetallics and other metals in the past two decades. Before our focused investigations on the properties of triangular and sandwich-shaped all-metal aromatics, A. I. Boldyrev presented general discussions on the concepts of all-metal σ-aromaticity and σ-antiaromaticity for metallo-clusters. Schleyer illustrated that Nucleus-Independent Chemical Shifts (NICS) were among the most authoritative criteria for aromaticity. Ugalde discussed the earlier developments of all-metal aromatic compounds with all possible shapes. Besides the theoretical predictions, many stable all-metal aromatic trinuclear clusters have been isolated as the metallic analogues of either the σ-aromatic molecule’s [H3]+ ion or the π-aromatic molecule’s [C3H3]+ ion. Different from Hoffman’s opinion on all-metal aromaticity, triangular all-metal aromatics were found to hold great potential in applications in coordination chemistry, catalysis, and material science. Triangular all-metal aromatics, which were theoretically proved to conform to the Hückel (4n + 2) rule and possess the smallest aromatic ring, could also play roles as stable ligands during the formation of all-metal sandwiches. The triangular and sandwich-shaped all-metal aromatics have not yet been specifically summarized despite their diversity of existence, puissant developments and various interesting applications. These findings are different from the public opinion that all-metal aromatics would be limited to further applications due to their overstated difficulties in synthesis and uncertain stabilities. Our review will specifically focus on the summarization of theoretical predictions, feasible syntheses and isolations, and multiple applications of triangular and sandwich shaped all-metal aromatics. The appropriateness and necessities of this review will emphasize and disseminate their importance and applications forcefully and in a timely manner.
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12

John Plater, M. « Chapter 4. Aromatic chemistry ». Annual Reports Section "B" (Organic Chemistry) 94 (1998) : 129. http://dx.doi.org/10.1039/oc094129.

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Plater, M. John. « Chapter 4. Aromatic chemistry ». Annual Reports Section "B" (Organic Chemistry) 95 (1999) : 137–56. http://dx.doi.org/10.1039/a808583h.

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14

Seo, D. K. « CHEMISTRY : Aromatic Metal Clusters ». Science 291, no 5505 (2 février 2001) : 841–42. http://dx.doi.org/10.1126/science.1058418.

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15

Plater, M. John. « ChemInform Abstract : Aromatic Chemistry ». ChemInform 31, no 18 (8 juin 2010) : no. http://dx.doi.org/10.1002/chin.200018191.

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Plater, M. John. « ChemInform Abstract : Aromatic Chemistry ». ChemInform 32, no 22 (26 mai 2010) : no. http://dx.doi.org/10.1002/chin.200122262.

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17

Togo, Hideo, et Sousuke Ushijima. « One-Pot Conversion of Aromatic Bromides and Aromatics into Aromatic Nitriles ». Synlett 2010, no 10 (10 mai 2010) : 1562–66. http://dx.doi.org/10.1055/s-0029-1219935.

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Colquhoun, Howard M., Mikhail G. Zolotukhin, Leonard M. Khalilov et Usein M. Dzhemilev. « Superelectrophiles in Aromatic Polymer Chemistry ». Macromolecules 34, no 4 (février 2001) : 1122–24. http://dx.doi.org/10.1021/ma001579o.

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19

Cao, Xiao-Yu, Qianyi Zhao, Zhiqun Lin et Haiping Xia. « The Chemistry of Aromatic Osmacycles ». Accounts of Chemical Research 47, no 2 (14 novembre 2013) : 341–54. http://dx.doi.org/10.1021/ar400087x.

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20

Jin, Hanfeng, Wenhao Yuan, Wei Li, Jiuzhong Yang, Zhongyue Zhou, Long Zhao, Yuyang Li et Fei Qi. « Combustion chemistry of aromatic hydrocarbons ». Progress in Energy and Combustion Science 96 (mai 2023) : 101076. http://dx.doi.org/10.1016/j.pecs.2023.101076.

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Diederich, François, et Carlo Thilgen. « Preface ». Pure and Applied Chemistry 82, no 4 (1 janvier 2010) : iv. http://dx.doi.org/10.1351/pac20108204iv.

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The 13th International Symposium on Novel Aromatic Compounds (ISNA-13) was held in Luxembourg City, Grand-Duchy of Luxembourg, the smallest country so far hosting a conference of the ISNA series. It took place 19-24 July 2009 and was attended by 360 participants, mostly from academic institutions, representing 34 countries. The scientific program consisted of the Opening Plenary Lecture given by Prof. Jean-Marie Lehn (Institute of Science and Supramolecular Engineering and Louis Pasteur University, Strasbourg), the 2009 Nozoe Lecture presented by Prof. Atsuhiro Osuka (Kyoto University, Kyoto), 34 invited lectures, 26 oral communications, and 194 posters presented in two sessions. In a public lecture, vice rector Prof. Luciënne Blessing presented the activities of the recently founded University of Luxembourg. The organizing committee made a strong and successful effort to attract numerous graduate and undergraduate students to ISNA-13.The ISNA symposium series was launched by Prof. Tetsuo Nozoe in 1970 as the International Symposium on Nonbenzenoid Aromatic Compounds. Since then, the currently biennial conference rotates between Asia, North America, and Europe. As indicated by its present name, the focus of the symposium has broadened and is now set on new experimental and theoretical insights into the concept of aromaticity, synthesis and properties of novel aromatic compounds, as well as applications of π-conjugated systems in different fields of molecular science and technology. From a broader perspective, through interactions between participating scientists, ISNA conferences aim at the generation of new knowledge and its eventual application for the betterment of society.In line with the above, the organizers of ISNA-13 emphasized not only the traditional and fundamental aspects of novel aromatic compounds, such as their theory, synthesis, structure, and properties, but also their application in materials science. This included, for example, macrocycles, oligomers, and polymers and their optoelectronic properties, supramolecular chemistry based on aromatic functional modules, aromatics on surfaces, and molecular electronics based on aromatic units. The main subjects of the meeting that are covered in this Special Topic issue are as follows:- aromaticity and novel aromatic systems - theory- aromaticity and novel aromatic systems - experimental- fullerenes and concave aromatics- aromatic polymers and oligomers and their optoelectronic properties- supramolecular aromatic devices, switches, and machines- aromatics on surfaces, including graphene- optoelectronicsThe next conference, ISNA-14, will be chaired by Profs. Michael M. Haley (University of Oregon, Eugene) and Benjamin T. King (University of Nevada, Reno) and will be held in Eugene, OR, USA, 24-29 July 2011. ISNA-15 will be organized by Prof. Ken-Tsung Wong (National Taiwan University) in Taipei, Taiwan.François DiederichA. Dieter SchlüterCarlo ThilgenConference Editors
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Jones, Lyn H., Nicholas W. Summerhill, Nigel A. Swain et James E. Mills. « Aromatic chloride to nitrile transformation : medicinal and synthetic chemistry ». MedChemComm 1, no 5 (2010) : 309–18. http://dx.doi.org/10.1039/c0md00135j.

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Postnikov, Pavel S., Marina Trusova, Ksenia Kutonova et Viktor Filimonov. « Arenediazonium salts transformations in water media : Coming round to origins ». Resource-Efficient Technologies, no 1 (30 juin 2016) : 36–42. http://dx.doi.org/10.18799/24056529/2016/1/37.

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Aromatic diazonium salts belong to an important class of organic compounds. The chemistry of these compounds has been originally developedin aqueous media, but then chemists focused on new synthetic methods that utilize reactions of diazonium salts in organic solvents. However, according to the principles of green chemistry and resource-efficient technologies, the use of organic solvents should be avoided. This review summarizes new trends of diazonium chemistry in aqueous media that satisfy requirements of green chemistry and sustainable technology.
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Šmídl, Petr, et Karel Pecka. « Chromatographic behaviour of aromatic hydrocarbons and heterocyclic compounds on silica gel with a chemically bonded amino phase ». Collection of Czechoslovak Chemical Communications 50, no 11 (1985) : 2375–80. http://dx.doi.org/10.1135/cccc19852375.

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The chromatographic behaviour of a series of polycyclic aromatic hydrocarbons and heterocyclic compounds was investigated on Separon SIX NH2, a sorbent with chemically bonded amino groups. The effect of substitution and partial hydrogenation of the aromatics on their retention was examined. The achieved separation of aromatic hydrocarbons from their mixtures into groups, each containing substances with the same number of rings, was compared with that published for other, similar chromatographic materials. The effect of structure of some heterocyclic compounds on their affinity for the stationary phase, in comparison with the related aromatic hydrocarbons, is also discussed.
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Lemaitre, Clément, Stefania Perulli, Ophélie Quinonero, Cyril Bressy, Jean Rodriguez, Thierry Constantieux, Olga García Mancheño et Xavier Bugaut. « Enantioselective Synthesis of Atropisomers by Oxidative Aromatization with Central-to-Axial Conversion of Chirality ». Molecules 28, no 7 (31 mars 2023) : 3142. http://dx.doi.org/10.3390/molecules28073142.

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Atropisomers are fascinating objects of study by themselves for chemists but also find applications in various sub-fields of applied chemistry. Obtaining them in enantiopure form is far from being a solved challenge, and the past decades has seen a surge of methodological developments in that direction. Among these strategies, oxidative aromatization with central-to-axial conversion of chirality has gained increasing popularity. It consists of the oxidation of a cyclic non-aromatic precursors into the corresponding aromatic atropisomers. This review proposes a critical analysis of this research field by delineating it and discussing its historical background and its present state of the art to draw potential future development directions.
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Sun, Laizhi, Zhibin Wang, Lei Chen, Shuangxia Yang, Xinping Xie, Mingjie Gao, Baofeng Zhao, Hongyu Si, Jian Li et Dongliang Hua. « Catalytic Fast Pyrolysis of Biomass into Aromatic Hydrocarbons over Mo-Modified ZSM-5 Catalysts ». Catalysts 10, no 9 (12 septembre 2020) : 1051. http://dx.doi.org/10.3390/catal10091051.

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Mo-modified ZSM-5 catalysts were prepared and used to produce aromatic hydrocarbons during catalytic fast pyrolysis (CFP) of biomass. The composition and distribution of aromatics were investigated on pyrolysis–gas chromatography/mass spectrometry (Py-GC/MS). The reaction factors, such as the Mo content, the reaction temperature and the catalyst/biomass mass ratio, were also optimized. It was found that the 10Mo/ZSM-5 catalyst displayed the best activity in improving the production of monocyclic aromatic hydrocarbons (MAHs) and decreasing the yield of polycyclic aromatic hydrocarbons (PAHs) at 600 °C and with a catalyst/biomass ratio of 10. Furthermore, according to catalyst characterization and the experiment results, the aromatics formation mechanism over Mo/ZSM-5 catalysts was also summarized and proposed.
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Abe, Daisuke, Yuichiro Fukuda et Yuji Sasanuma. « Chemistry of aromatic polythioesters and polydithioesters ». Polymer Chemistry 6, no 16 (2015) : 3131–42. http://dx.doi.org/10.1039/c4py01702a.

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Aromatic polythioesters and polydithioesters with different numbers of methylene units have been synthesized and characterized in terms of solubility, crystallinity, glass transition, melting, thermal decomposition, molecular motion, and thermal transition.
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Purchase, Rupert. « Polycyclic aromatic hydrocarbons : Chemistry and carcinogenicity ». Food and Chemical Toxicology 30, no 9 (septembre 1992) : 819. http://dx.doi.org/10.1016/0278-6915(92)90088-3.

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Lepp, S., et A. Dalgarno. « Polycyclic aromatic hydrocarbons in interstellar chemistry ». Astrophysical Journal 324 (janvier 1988) : 553. http://dx.doi.org/10.1086/165915.

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Plater, M. John. « ChemInform Abstract : Chapter 4 : Aromatic Chemistry ». ChemInform 30, no 16 (16 juin 2010) : no. http://dx.doi.org/10.1002/chin.199916285.

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Präsang, C., A. Mlodzianowska, G. Geiseler, W. Massa, M. Hofmann et A. Berndt. « Two-electron aromatics containing three and four adjacent boron atoms ». Pure and Applied Chemistry 75, no 9 (1 janvier 2003) : 1175–82. http://dx.doi.org/10.1351/pac200375091175.

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A two-electron aromatic bis (tris-trimethylsilylmethylene)-substituted tetraborane(4) was found to be a useful precursor for the synthesis of two-electron aromatic tetraboranes(6), triboracyclopropanates,as well as tetraboranes(6) distorted toward triboracyclopropanates with boryl bridges. Bishomo two-electron aromatics with a borata bridge and a protonated borata bridge, respectively, are also presented.
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Bernstein, Max. « Reactions of aromatics in space and connections to the carbon chemistry of Solar System materials ». Proceedings of the International Astronomical Union 4, S251 (février 2008) : 437–40. http://dx.doi.org/10.1017/s1743921308022102.

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AbstractPolycyclic aromatic hydrocarbons (PAHs) and related aromatic materials are thought to be the most abudant class of organic carbon in the universe, being present in virtually all phases of the ISM, and abundant in carbonaceous meteorites and asteroid and comet dust. The basic PAH skeleton is proposed to have formed in outflows of carbon rich stars, and isotopic measurements of extraterrestrial graphitic carbon is consistent with this notion. However, functionalized aromatics bearing oxygen atoms, aliphatic domains, and deuterium enrichments have been extracted from meteorites and more recently been measured in IDPs and Stardust retuned comet samples. Exposure of remnant circumstellar PAHs to energetic processing at low temperature in the presense of H2O is the most parsimonious explanation for these observations.We will present laboratory infrared spectra of various aromatic species and PAH cations in solid H2O under conditions relevant for comparsion to absorptions attributed to PAHs observed towards objects embedded in dense clouds. In addition, we shall describe the reactions of PAHs under these conditions in the lab when they are exposed to energetic processing. Finally, we will propose a mechanism, and make specific predictions regarding the structures and distribution of deuterium that should be observed in extraterrestrial samples if low temperature ice radiation chemistry is playing a role in the formation of the molecules seen in Solar System materials.
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Abe, Daisuke, Yuichiro Fukuda et Yuji Sasanuma. « Correction : Chemistry of aromatic polythioesters and polydithioesters ». Polymer Chemistry 7, no 8 (2016) : 1682. http://dx.doi.org/10.1039/c6py90024k.

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Marquet, Jorge, Francisco Casado, Maria Cervera, Martirio Espin, Iluminada Gallardo, M. Mir et M. Niat. « Reductively activated 'polar' nucleophilic aromatic substitution. A new mechanism in aromatic chemistry ? » Pure and Applied Chemistry 67, no 5 (1 janvier 1995) : 703–10. http://dx.doi.org/10.1351/pac199567050703.

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Qiu, Rulin, et Jun Zhu. « Adaptive aromaticity in 16-valence-electron metallazapentalenes ». Dalton Transactions 50, no 45 (2021) : 16842–48. http://dx.doi.org/10.1039/d1dt03244e.

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Theoretical studies reveal that metallazapentalenes display rare adaptive aromaticity (being aromatic in both the S0 and T1 states) whereas metalloxapentalenes exhibit nonaromaticity in these two states, expanding the family of adaptive aromatics.
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Lahoutifard, N., M. Ammann, L. Gutzwiller, B. Ervens et Ch George. « The impact of multiphase reactions of NO<sub>2</sub> ; with aromatics : a modelling approach ». Atmospheric Chemistry and Physics Discussions 2, no 1 (11 février 2002) : 147–72. http://dx.doi.org/10.5194/acpd-2-147-2002.

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Abstract. The impact of multiphase reactions involving nitrogen dioxide (NO2) and aromatic compounds was simulated in this study. A mechanism (CAPRAM 2.4, MODAC Mechanism), was applied for the aqueous phase reactions whereas RACM was applied for the gas phase chemistry. Liquid droplets were considered as monodispersed with a mean radius of 0.1 mm and a liquid water content (LWC) of 50mg m-3. The multiphase mechanism has been further extended to the chemistry of aromatics, i.e. reactions involving benzene, toluene, xylene, phenol and cresol have been added. In addition, reaction of NO2 with dissociated hydroxyl substituted aromatic compounds has also been implemented. These reactions proceed through charge exchange leading to nitrite ions and therefore to nitrous acid formation. The strength of this source was explored under urban polluted conditions. It was shown that it may significantly increase gas phase HONO levels. About one order of magnitude change of HONO concentration was observed with finally, a minor effect on subsequent gas phase daytime photochemistry because of the limited aerosol life time considered.
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Jenkin, M. E., S. M. Saunders, V. Wagner et M. J. Pilling. « Protocol for the development of the Master Chemical Mechanism, MCM v3 (Part B) : tropospheric degradation of aromatic volatile organic compounds ». Atmospheric Chemistry and Physics Discussions 2, no 6 (7 novembre 2002) : 1905–38. http://dx.doi.org/10.5194/acpd-2-1905-2002.

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Abstract. Kinetic and mechanistic data relevant to the tropospheric degradation of aromatic volatile organic compounds (VOC) have been used to define a mechanism development protocol, which has been used to construct degradation schemes for 18 aromatic VOC as part of version 3 of the Master Chemical Mechanism (MCM v3). This is complementary to the treatment of 107 non-aromatic VOC, presented in a companion paper. The protocol is divided into a series of subsections describing initiation reactions, the degradation chemistry to first generation products via a number of competitive routes, and the further degradation of first and subsequent generation products. Emphasis is placed on describing where the treatment differs from that applied to the non-aromatic VOC. The protocol is based on work available in the open literature up to the beginning of 2001, and some other studies known by the authors which were under review at the time. Photochemical Ozone Creation Potentials (POCP) have been calculated for the 18 aromatic VOC in MCM v3 for idealised conditions appropriate to north-west Europe, using a photochemical trajectory model. The POCP values provide a measure of the relative ozone forming abilities of the VOC. These show distinct differences from POCP values calculated previously for the aromatics, using earlier versions of the MCM, and reasons for these differences are discussed.
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38

Jenkin, M. E., S. M. Saunders, V. Wagner et M. J. Pilling. « Protocol for the development of the Master Chemical Mechanism, MCM v3 (Part B) : tropospheric degradation of aromatic volatile organic compounds ». Atmospheric Chemistry and Physics 3, no 1 (12 février 2003) : 181–93. http://dx.doi.org/10.5194/acp-3-181-2003.

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Abstract. Kinetic and mechanistic data relevant to the tropospheric degradation of aromatic volatile organic compounds (VOC) have been used to define a mechanism development protocol, which has been used to construct degradation schemes for 18 aromatic VOC as part of version 3 of the Master Chemical Mechanism (MCM v3). This is complementary to the treatment of 107 non-aromatic VOC, presented in a companion paper. The protocol is divided into a series of subsections describing initiation reactions, the degradation chemistry to first generation products via a number of competitive routes, and the further degradation of first and subsequent generation products. Emphasis is placed on describing where the treatment differs from that applied to the non-aromatic VOC. The protocol is based on work available in the open literature up to the beginning of 2001, and some other studies known by the authors which were under review at the time. Photochemical Ozone Creation Potentials (POCP) have been calculated for the 18 aromatic VOC in MCM v3 for idealised conditions appropriate to north-west Europe, using a photochemical trajectory model. The POCP values provide a measure of the relative ozone forming abilities of the VOC. These show distinct differences from POCP values calculated previously for the aromatics, using earlier versions of the MCM, and reasons for these differences are discussed.
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39

Cui, Weihong, et Bradford B. Wayland. « Hydrocarbon C-H bond activation by rhodium porphyrins ». Journal of Porphyrins and Phthalocyanines 08, no 02 (février 2004) : 103–10. http://dx.doi.org/10.1142/s108842460400009x.

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Rhodium porphyrins provide a variety of C-H bond reactions with both aromatic and aliphatic hydrocarbons that acquire unusual selectivity in part through the steric requirements of the porphyrin ligand. Rhodium(III) porphyrins selectively react with aromatic C-H bonds by electrophilic substitution with the virtual exclusion of aliphatic C-H bond activation. Rhodium(II) porphyrins react by a metal-centered radical pathway with alkyl aromatics and alkanes selectively at the alkyl C-H bond with total exclusion of aromatic C-H bond activation. Reactions of rhodium(II) metalloradicals with alkyl C-H bonds have large deuterium isotope effects, small activation enthalpies and large negative activation entropies consistent with a near linear symmetrical four-centered transition state ( Rh ˙⋯ H ⋯ C ⋯˙Rh). The nature of this transition state and the dimensions of rhodium porphyrins provide steric constraints that preclude aromatic C-H bond reactions and give high kinetic preference for methane activation as the smallest alkane substrate. Rhodium(II) tethered diporphyrin bimetalloradical complexes convert the C-H bond reactions to bimolecular processes with dramatically increased reaction rates and high selectivity for methane activation.
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40

Lewis, Michael, Shana Beg, Aimee Clements, Dianne Tran et Kristine Waggoner. « The effect of substituent rotation on aromatic quadrupole moments ». Canadian Journal of Chemistry 88, no 1 (janvier 2010) : 5–13. http://dx.doi.org/10.1139/v09-152.

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We recently reported substituent constants for the accurate prediction of molecular quadrupole moments of mono-, di-, tri- and tetra-substituted aromatics. Four of the substituents in the study, –OH, –NO2, –NH2, and –CH3, were polyatomic and for these groups the substituent constants only hold for the lowest energy, or near-lowest energy, geometries. Herein, we report a computational investigation of the effect of rotation of –OH, –NO2, –NH2, and –CH3 groups on the aromatic quadrupole moment, Θzz. As expected, rotation of these substituents significantly affects the aromatic Θzz value; however, the affects are clearly periodic. Additionally, we have modified the methods to best employ our substituent constants.
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Bates, Kelvin H., Daniel J. Jacob, Ke Li, Peter D. Ivatt, Mat J. Evans, Yingying Yan et Jintai Lin. « Development and evaluation of a new compact mechanism for aromatic oxidation in atmospheric models ». Atmospheric Chemistry and Physics 21, no 24 (17 décembre 2021) : 18351–74. http://dx.doi.org/10.5194/acp-21-18351-2021.

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Abstract. Aromatic hydrocarbons, including benzene, toluene, and xylenes, play an important role in atmospheric chemistry, but the associated chemical mechanisms are complex and uncertain. Sparing representation of this chemistry in models is needed for computational tractability. Here, we develop a new compact mechanism for aromatic chemistry (GC13) that captures current knowledge from laboratory and computational studies with only 17 unique species and 44 reactions. We compare GC13 to six other currently used mechanisms of varying complexity in box model simulations of environmental chamber data and diurnal boundary layer chemistry, and show that GC13 provides results consistent with or better than more complex mechanisms for oxygenated products (alcohols, carbonyls, dicarbonyls), ozone, and hydrogen oxide (HOx≡OH+HO2) radicals. Specifically, GC13 features increased radical recycling and increased ozone destruction from phenoxy–phenylperoxy radical cycling relative to other mechanisms. We implement GC13 into the GEOS-Chem global chemical transport model and find higher glyoxal yields and net ozone loss from aromatic chemistry compared with other mechanisms. Aromatic oxidation in the model contributes 23 %, 5 %, and 8 % of global glyoxal, methylglyoxal, and formic acid production, respectively, and has mixed effects on formaldehyde. It drives small decreases in global tropospheric OH (−2.2 %), NOx (≡NO+NO2; −3.7 %), and ozone (−0.8 %), but a large increase in NO3 (+22 %) from phenoxy–phenylperoxy radical cycling. Regional effects in polluted environments can be substantially larger, especially from the photolysis of carbonyls produced by aromatic oxidation, which drives large wintertime increases in OH and ozone concentrations.
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Kaiser, Ralf I., et Nils Hansen. « An Aromatic Universe–A Physical Chemistry Perspective ». Journal of Physical Chemistry A 125, no 18 (7 avril 2021) : 3826–40. http://dx.doi.org/10.1021/acs.jpca.1c00606.

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Wakelam, Valentine, et Eric Herbst. « Polycyclic Aromatic Hydrocarbons in Dense Cloud Chemistry ». Astrophysical Journal 680, no 1 (10 juin 2008) : 371–83. http://dx.doi.org/10.1086/587734.

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Snieckus, Victor, et Paul Knochel. « Cluster Preface : Resurgence of Synthetic Aromatic Chemistry ». Synlett 26, no 20 (7 décembre 2015) : 2782–83. http://dx.doi.org/10.1055/s-0035-1560959.

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Minisci, F. « Diazo Chemistry I. Aromatic and Heteroaromatic Compounds ». Synthesis 1995, no 04 (avril 1995) : 473–74. http://dx.doi.org/10.1055/s-1995-3912.

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Nodin, Laura, Olivier Noël, Françoise Chaminade, Ouerdia Maskri, Vincent Barbier, Olivier David, Philippe Fossé et Juan Xie. « RNA SHAPE chemistry with aromatic acylating reagents ». Bioorganic & ; Medicinal Chemistry Letters 25, no 3 (février 2015) : 566–70. http://dx.doi.org/10.1016/j.bmcl.2014.12.020.

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Bartle, K. D. « Industrial Aromatic Chemistry, Raw Materials—Processes—Products ». Fuel 67, no 9 (septembre 1988) : 1310. http://dx.doi.org/10.1016/0016-2361(88)90057-9.

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Freeman, Harold. « Aromatic amines : use in azo dye chemistry ». Frontiers in Bioscience 18, no 1 (2013) : 145. http://dx.doi.org/10.2741/4093.

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Griffiths, J. « Diazo chemistry I : Aromatic and heteroatomic compounds ». Dyes and Pigments 27, no 3 (janvier 1995) : 261–62. http://dx.doi.org/10.1016/0143-7208(95)90005-5.

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ZANDER, M. « ChemInform Abstract : Aspects of Polycyclic Aromatic Chemistry ». ChemInform 26, no 9 (18 août 2010) : no. http://dx.doi.org/10.1002/chin.199509315.

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