Articles de revues : « Oxygen Atom »

1

Vesel, Alenka, Miran Mozetic et Marianne Balat-Pichelin. « Oxygen atom density in microwave oxygen plasma ». Vacuum 81, n^o 9 (mai 2007) : 1088–93. http://dx.doi.org/10.1016/j.vacuum.2007.02.003.

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Johnson, B. F. G., et M. V. Twigg. « Catalytic oxygen atom transfer reactions ». Transition Metal Chemistry 10, n^o 11 (novembre 1985) : 439–40. http://dx.doi.org/10.1007/bf01096756.

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3

QIAO, LIANG, YI ZENG, CHAOQUN QU, XIAOYING HU, LIJUN SONG, SHUJIE LIU et YONGMING SUI. « THEORETICAL STUDY OF THE ADSORPTION AND DIFFUSION OF OXYGEN ATOM ON O-TERMINATED ZnO$(000\bar 1)$ SURFACE ». Nano 09, n^o 01 (janvier 2014) : 1450006. http://dx.doi.org/10.1142/s1793292014500064.

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The adsorption and diffusion of oxygen atom on the O -terminated ZnO [Formula: see text] surface have been systematically investigated based on first-principles density functional theory. The results show that the surface relaxation of the ZnO [Formula: see text] surface is significant. In the view of the maximization of the adsorption energy, the preferred site for the adsorption of oxygen atom is the top- O site above the oxygen atom of the first Zn – O bilayer. There is chemical bond formed between the adsorbed oxygen atom and the oxygen atom on the surface, which will result in the redistribution of the charges. The charges transfer from the ZnO surface to the adsorbed oxygen atom, which will heighten the surface potential of ZnO surface and increase the surface work function. Moreover, the diffusion of the oxygen atom on the ZnO surface has also been investigated, and the potential barriers of the diffusion have been identified to reveal the adsorption stability.

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4

Sugimura, Natsuhiko, Asami Furuya, Takahiro Yatsu, Yoko Igarashi, Reiko Aoyama, Chisato Izutani, Yorihiro Yamamoto et Toshimichi Shibue. « Observed adducts on positive mode direct analysis in real time mass spectrometry – Proton/ammonium adduct selectivities of 600-sample in-house chemical library ». European Journal of Mass Spectrometry 23, n^o 1 (février 2017) : 4–10. http://dx.doi.org/10.1177/1469066717693851.

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In this study, direct analysis in real time adduct selectivities of a 558 in-house high-resolution mass spectrometry sample library was evaluated. The protonated molecular ion ([M + H]+) was detected in 462 samples. The ammonium adduct ion ([M + NH4]+) was also detected in 262 samples. [M + H]+ and [M + NH4]+ molecular ions were observed simultaneously in 166 samples. These adduct selectivities were related to the elemental compositions of the sample compounds. [M + NH4]+ selectivity correlated with the number of oxygen atom(s), whereas [M + H]+ selectivity correlated with the number of nitrogen atom(s) in the elemental compositions. For compounds including a nitrogen atom and an oxygen atom [M + H]+ was detected; [M + NH4]+ was detected for compounds including an oxygen atom only. Density functional theory calculations were performed for selected library samples and model compounds. Energy differences were observed between compounds detected as [M + H]+ and [M + NH4]+, and between compounds including a nitrogen atom and an oxygen atom in their elemental compositions. The results suggested that the presence of oxygen atoms stabilizes [M + NH4]+, but not every oxygen atom has enough energy for detection of [M + NH4]+. It was concluded that the nitrogen atom(s) and oxygen atom(s) in the elemental compositions play important roles in the adduct formation in direct analysis in real time mass spectrometry.

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5

Ezumi, Hiromichi, et Masahiko Kawamura. « Atom-Atom Excitation in Shock Waves in Argon-Oxygen Mixture ». Journal of the Physical Society of Japan 56, n^o 5 (15 mai 1987) : 1731–37. http://dx.doi.org/10.1143/jpsj.56.1731.

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Bhadra, Biswa Nath, Yong Su Baek, Cheol Ho Choi et Sung Hwa Jhung. « How neutral nitrogen-containing compounds are oxidized in oxidative-denitrogenation of liquid fuel with TiO2@carbon ». Physical Chemistry Chemical Physics 23, n^o 14 (2021) : 8368–74. http://dx.doi.org/10.1039/d1cp00633a.

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In oxidative denitrogenation of neutral nitrogen-containing compounds, it was found that oxygen firstly attacks the nitrogen atom, via electrophilic addition of an active oxygen atom; and oxygen on nitrogen moves to the nearby carbon atom because of the relative stability of the intermediates and products.

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7

Vrlinic, Tjasa, Caroline Mille, Dominique Debarnot et Fabienne Poncin-Epaillard. « Oxygen atom density in capacitively coupled RF oxygen plasma ». Vacuum 83, n^o 5 (janvier 2009) : 792–96. http://dx.doi.org/10.1016/j.vacuum.2008.07.008.

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8

Lu, Xiaoqing, Shoufu Cao, Xiaofei Wei, Shaoren Li et Shuxian Wei. « Study on oxygen reduction mechanism of S-doped Fe-NC monatomic catalyst ». Applied Chemical Engineering 5, n^o 2 (13 juillet 2022) : 36. http://dx.doi.org/10.24294/ace.v5i2.1639.

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Heteroatom doped Fe-NC catalyst shows excellent performance in oxygen reduction reaction. In this work, density functional theory was used to study the mechanism of S atom doping on the regulation of electronic structure of Fe-NC monatomic catalyst and the promotion of oxygen reduction reaction. The stable configuration of Fe-NC catalyst after sulfur atom doping, the regulation of electronic structure of fen4 active site by S atom, and the mechanism of oxygen adsorption and oxygen reduction reaction were analyzed. The results show that doping a small amount of S atoms around the fen4 active site can improve the stability of the catalyst. The mechanism of S atom doping to improve oxygen reduction performance is as follows: (1) the doping of S atom reduces the band gap of the catalyst, improves the conductivity of the catalyst, and is conducive to the electrocatalytic oxygen reduction reaction; (2) the doping of S atom can improve the ability of the catalyst to adsorb oxygen, which is conducive to oxygen reduction reaction; (3) the introduction of four S atoms into the system can reduce the overpotential of oxygen reduction reaction and improve the catalytic activity of fen4 site for oxygen reduction reaction. This work may provide a new idea for the regulation of heteroatom doping on carbon-based monatomic catalysts.

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9

Cotton, F. Albert, Lee M. Daniels, Carlos A. Murillo et Hong-Cai Zhou. « Oxygen in a box : an oxygen atom surrounded by a cube of 8 lithium atoms ». Comptes Rendus de l'Académie des Sciences - Series IIC - Chemistry 2, n^o 11-13 (novembre 1999) : 579–82. http://dx.doi.org/10.1016/s1387-1609(00)88568-0.

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10

Manthiram, Karthish. « Controlling Electrocatalytic Oxygen-Atom Transfer Reactions ». ECS Meeting Abstracts MA2021-02, n^o 27 (19 octobre 2021) : 836. http://dx.doi.org/10.1149/ma2021-0227836mtgabs.

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11

Brudevoll, T., E. A. Kotomin et N. E. Christensen. « Interstitial-oxygen-atom diffusion in MgO ». Physical Review B 53, n^o 12 (15 mars 1996) : 7731–35. http://dx.doi.org/10.1103/physrevb.53.7731.

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12

Zhang, Yiping, et Richard H. Holm. « Vanadium-mediated oxygen atom transfer reactions ». Inorganic Chemistry 29, n^o 5 (mars 1990) : 911–17. http://dx.doi.org/10.1021/ic00330a005.

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13

Seymore, Sean B., et Seth N. Brown. « Charge Effects on Oxygen Atom Transfer ». Inorganic Chemistry 39, n^o 2 (janvier 2000) : 325–32. http://dx.doi.org/10.1021/ic990851b.

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14

Holm, R. H. « Metal-centered oxygen atom transfer reactions ». Chemical Reviews 87, n^o 6 (décembre 1987) : 1401–49. http://dx.doi.org/10.1021/cr00082a005.

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15

Suslick, Kenneth S. « Photochemical oxygen atom transfers with metalloporphyrins ». Journal of Inorganic Biochemistry 51, n^o 1-2 (juillet 1993) : 342. http://dx.doi.org/10.1016/0162-0134(93)85374-h.

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16

Kovacs, Dalila, Ming-Shi Lee, David Olson et James E. Jackson. « Carbene-to-Carbene Oxygen Atom Transfer ». Journal of the American Chemical Society 118, n^o 34 (janvier 1996) : 8144–45. http://dx.doi.org/10.1021/ja961324j.

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17

CHE, XIN, JUN GAO, LIKAI DU et CHENGBU LIU. « THEORETICAL INVESTIGATION OF THE HIGH-SPIN "Fe-PROXIMAL OXYGEN" CATALYTIC MECHANISM OF RAT CYSTEINE DIOXYGENASE ». Journal of Theoretical and Computational Chemistry 12, n^o 03 (19 avril 2013) : 1350001. http://dx.doi.org/10.1142/s0219633613500016.

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Cysteine dioxygenase (CDO) catalyzes the oxidation of cysteine to cysteine sulfinate, which has crucial roles in the metabolism and bioconversion. The catalyzed reaction mechanism of CDO is currently disputed. Herein, a high-spin " Fe -proximal oxygen" catalytic mechanism of rat CDO is theoretically investigated with an energy barrier of 15.7 kcal⋅mol-1. In the mechanism, the Fe -proximal oxygen atom firstly attacks the sulfur atom of cysteine by the swing of O (1)– O (2) bond, and this makes the Fe -proximal oxygen atom O (1) accessible to S and Fe -terminal oxygen atom O (2) be closed to Fe . Then the generated seven-membered ring intermediate has smaller tension and could help the reaction take place easily. The reaction ends in the formation of the product cysteine sulfinic acid with the second oxygen atom O (2) transferred to S. This study gives an additional insight of the reaction mechanism of CDO, where the " Fe -proximal oxygen" and " Fe -terminal oxygen" mechanisms are both favorable in the catalytic process.

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18

Ertem, Mehmed Z., et Javier J. Concepcion. « Oxygen Atom Transfer as an Alternative Pathway for Oxygen–Oxygen Bond Formation ». Inorganic Chemistry 59, n^o 9 (21 avril 2020) : 5966–74. http://dx.doi.org/10.1021/acs.inorgchem.9b03751.

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19

Nishimura, Suzuka, Kazutaka Terashima et Hiroshi Nagayoshi. « Role of oxygen atoms in CaF2 crystals doped with Eu atom ». Journal of Applied Physics 104, n^o 5 (septembre 2008) : 053103. http://dx.doi.org/10.1063/1.2970155.

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20

Zhao, Chun Ying, Xu Wang et Fu He Wang. « First-Principles Study of Nb Doping Effect on the Diffusion of Oxygen Atom in γ-TiAl ». Advanced Materials Research 304 (juillet 2011) : 148–53. http://dx.doi.org/10.4028/www.scientific.net/amr.304.148.

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The effect of Nb doping on the diffusion of oxygen in γ-TiAl is studied by the use of first-principles. Our calculated results showed that the diffusion barriers of oxygen in γ-TiAl are increased by the Nb doping. And the effect of Nb doping dies down as the distance between the oxygen atom and doped Nb atom increases. Accordingly, the improvement of the poor oxidation resistance of γ-TiAl by Nb doping may be caused by suppressing the diffusion of oxygen atom in γ-TiAl.

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21

Bannikov, V. V., Anatoly Yakovlevich Fishman, L. I. Leontiev et Valentin Yakovlevich Mitrofanov. « Formation of Diffusion Potential Barrier for Oxygen Ions in Nio1-δ Crystal ». Defect and Diffusion Forum 258-260 (octobre 2006) : 118–23. http://dx.doi.org/10.4028/www.scientific.net/ddf.258-260.118.

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A theoretical investigation of peculiarities in the formation of diffusion potential barrier for oxygen atoms in NiO1-δ crystal is performed. The approximation of pair interionic potentials set in analytical expressions is used for the evaluation of the potential barrier for the diffusing oxygen atom. It is shown that the potential energy of diffusing oxygen atom originates first of all from compensation between positive contribution of short-range interaction and negative contributions of the long-range Coulomb interaction. It is also influenced by effects of degenerate term splitting due to the low-symmetry crystal fields, created by the diffusing atom and vacancy, lattice relaxation and redistribution of excess charges in the vicinity of diffusing oxygen atom.

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22

Yang, Songjie, A. Christopher Garner et John D. Wallis. « N–H⋯O hydrogen bonding to the alkoxy oxygen of a carboxylic ester group : crystal structures of methyl 2,6-diaminobenzoate and its derivatives ». CrystEngComm 22, n^o 21 (2020) : 3701–12. http://dx.doi.org/10.1039/d0ce00495b.

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23

Masten, David A., Ronald K. Hanson et Craig T. Bowman. « Shock tube study of the reaction hydrogen atom + oxygen .fwdarw. hydroxyl + oxygen atom using hydroxyl laser absorption ». Journal of Physical Chemistry 94, n^o 18 (septembre 1990) : 7119–28. http://dx.doi.org/10.1021/j100381a033.

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24

Vinckier, C., et S. De Jaegere. « Yields of the Plasma Oxidation of Silicon by Neutral Oxygen Atoms and Negative Oxygen Atom Ions ». Journal of The Electrochemical Society 137, n^o 2 (1 février 1990) : 628–31. http://dx.doi.org/10.1149/1.2086519.

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25

Ding, Xun-Lei, Heng-Lu Liao, Yan Zhang, Yi-Ming Chen, Dan Wang, Ya-Ya Wang et Hua-Yong Zhang. « Geometric and electronic properties of gold clusters doped with a single oxygen atom ». Physical Chemistry Chemical Physics 18, n^o 41 (2016) : 28960–72. http://dx.doi.org/10.1039/c6cp05595h.

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A systematic theoretical study on single oxygen atom doped gold clusters showed that a single oxygen atom can be adsorbed on various sites of gold surfaces, and obtain nearly one electron from gold atoms.

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26

Tagawa, Masahito, Kumiko Yokota, Shinnosuke Tsumamoto, Chie Sogo, Akitaka Yoshigoe et Yuden Teraoka. « Direct insertion of oxygen atoms into the backbonds of subsurface Si atoms using translational energies of oxygen atom beams ». Applied Physics Letters 91, n^o 3 (16 juillet 2007) : 033504. http://dx.doi.org/10.1063/1.2759262.

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María Girón, Rosa, Juan Marco-Martínez, Sebastiano Bellani, Alberto Insuasty, Hansel Comas Rojas, Gabriele Tullii, Maria Rosa Antognazza, Salvatore Filippone et Nazario Martín. « Synthesis of modified fullerenes for oxygen reduction reactions ». Journal of Materials Chemistry A 4, n^o 37 (2016) : 14284–90. http://dx.doi.org/10.1039/c6ta06573b.

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Suitably functionalized fullerenes bearing an active metal atom or just an active hydrogen atom behave simultaneously as electron acceptors in bulk heterojunction devices and as catalysts for ORRs. Remarkably, metal-free fullerene derivatives proved to be as active as the related hybrids.

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28

Pickardt, Joachim, et Sven Wiese. « Kristallstrukturen der Komplexe Von Quecksilber(Ii)Iodid und -Thiocyanat mit L,13-Bis(8-Chinolyl)-L,4,7,10,13-Pentaoxatridecan („Kryptand 5“) ». Zeitschrift für Naturforschung B 55, n^o 10 (1 octobre 2000) : 971–74. http://dx.doi.org/10.1515/znb-2000-1014.

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AbstractReactions of 1,13-bis(8-chinolyl)-1,4,7,10,13-pentaoxatridecane (“Cryptand 5”) with HgX2 (X = I, SCN) yield crystals of [(cryptand 5)(HgI2)2] (1) and [(cryptand 5 )2{Hg(SCN)2}4] (2), resp. In both complexes two molecules of HgX2 are bound to one ligand molecule. 1 has symmetry Ci with the oxygen atom O(3 ) of the ether chain on a center of symmetry of the unit cell, each Hg atom is bound to the two I atoms, the N atom of the chinolyl residue, and one oxygen atom, O(1) and O(l)i, resp. of the ligand; neighbouring complex units are connected via iodine bridges thus forming chains. In 2 also two formula units of HgX2 are bound to one ligand molecule, but contrary to 1 the complex is not centrosymmetric. The Hg atoms of the two Hg(SCN)2 groups are co-ordinated differently: both are bound via sulphur atoms to two SCN-groups, one being a terminal SCN group, the other acting as a bridge to the Hg atom of a neighbouring complex unit. The first Hg atom is connected to a chinolyl N atom and too oxygen atoms, the second to a chinolyl N atom and three oxygen atoms. There are two independent complex units per asymmetric unit which are related by a non-crystallographic twofold axis, and which are connected via two SCN bridges. These “double molecules” are also interconnected by thiocyanate bridges, thus forming a chain structure

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29

Hao, Yifan, Xuejun Zhao, Xuedan Song, Hongjiang Li, Xiaobing Zhu et Ce Hao. « The Interaction between Graphene and Oxygen Atom ». Open Physics 14, n^o 1 (1 janvier 2016) : 690–94. http://dx.doi.org/10.1515/phys-2016-0075.

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AbstractBased on the density function theory (DFT) method, the interaction between the graphene and oxygen atom is simulated by the B3LYP functional with the 6-31G basis set. Due to the symmetry of graphene (C54H18, D6h), a representative patch is put forward to represent the whole graphene to simplify the description. The representative patch on the surface is considered to gain the potential energy surface (PES). By the calculation of the PES, four possible stable isomers of the C54H18-O radical can be obtained. Meanwhile, the structures and energies of the four possible stable isomers, are further investigated thermodynamically, kinetically, and chemically. According to the transition states, the possible reaction mechanism between the graphene and oxygen atom is given.

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30

Chung, Sunggi, Chun C. Lin et Edward T. P. Lee. « Electron-impact ionization of the oxygen atom ». Physical Review A 47, n^o 5 (1 mai 1993) : 3867–77. http://dx.doi.org/10.1103/physreva.47.3867.

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31

Sokolov, V. O., et V. B. Sulimov. « Threefold coordinated oxygen atom in silica glass ». Journal of Non-Crystalline Solids 217, n^o 2-3 (septembre 1997) : 167–72. http://dx.doi.org/10.1016/s0022-3093(97)00140-3.

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32

Oda, T., Y. Yamashita, K. Takezawa et R. Ono. « Oxygen atom behaviour in the nonthermal plasma ». Thin Solid Films 506-507 (mai 2006) : 669–73. http://dx.doi.org/10.1016/j.tsf.2005.08.266.

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33

Bakac, A., B. Assink, J. H. Espenson et W. D. Wang. « Metal Hydroperoxides as Oxygen Atom Transfer Reagents ». Inorganic Chemistry 35, n^o 3 (janvier 1996) : 788–90. http://dx.doi.org/10.1021/ic951166h.

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34

Celii, Francis G., Helen R. Thorsheim, Maureen A. Hanratty et James E. Butler. « Oxygen atom detection using third harmonic generation ». Applied Optics 29, n^o 21 (20 juillet 1990) : 3135. http://dx.doi.org/10.1364/ao.29.003135.

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35

Wignacourt, J. P., J. S. Swinnea, H. Steinfink et J. B. Goodenough. « Oxygen atom thermal vibration anisotropy in Ba0.87K0.13BiO3 ». Applied Physics Letters 53, n^o 18 (31 octobre 1988) : 1753–55. http://dx.doi.org/10.1063/1.100430.

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36

Lin, Cheng, Mark F. Witinski et H. Floyd Davis. « Oxygen atom Rydberg time-of-flight spectroscopy ». Journal of Chemical Physics 119, n^o 1 (juillet 2003) : 251–55. http://dx.doi.org/10.1063/1.1576752.

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37

Mozetic, Miran, Alenka Vesel, Silviu Daniel Stoica, Sorin Vizireanu, Gheorghe Dinescu et Rok Zaplotnik. « Oxygen atom loss coefficient of carbon nanowalls ». Applied Surface Science 333 (avril 2015) : 207–13. http://dx.doi.org/10.1016/j.apsusc.2015.02.020.

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38

Shilov, A. E. « Possible chain mechanism of oxygen atom transfer ». Reaction Kinetics & ; Catalysis Letters 41, n^o 1 (mars 1990) : 223–26. http://dx.doi.org/10.1007/bf02075508.

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39

Shan, Hui, et Paul R. Sharp. « Double Oxygen Atom Centered Rhodium–Gold Clusters ». Angewandte Chemie International Edition in English 35, n^o 6 (1 avril 1996) : 635–36. http://dx.doi.org/10.1002/anie.199606351.

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40

Enciso, Alan E., Liye Fu, Sushil Lathwal, Mateusz Olszewski, Zhenhua Wang, Subha R. Das, Alan J. Russell et Krzysztof Matyjaszewski. « Biocatalytic “Oxygen‐Fueled” Atom Transfer Radical Polymerization ». Angewandte Chemie 130, n^o 49 (8 novembre 2018) : 16389–93. http://dx.doi.org/10.1002/ange.201809018.

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41

Cowen, Ron. « Atom & ; cosmos : Europa's oxygen-filled ocean ». Science News 176, n^o 10 (novembre 2009) : 8. http://dx.doi.org/10.1002/scin.5591761006.

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42

Hoflund, Gar B., Mark R. Davidson et R. A. Outlaw. « Development of a hyperthermal oxygen-atom generator ». Surface and Interface Analysis 19, n^o 1-12 (juin 1992) : 325–30. http://dx.doi.org/10.1002/sia.740190161.

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Enciso, Alan E., Liye Fu, Sushil Lathwal, Mateusz Olszewski, Zhenhua Wang, Subha R. Das, Alan J. Russell et Krzysztof Matyjaszewski. « Biocatalytic “Oxygen‐Fueled” Atom Transfer Radical Polymerization ». Angewandte Chemie International Edition 57, n^o 49 (3 décembre 2018) : 16157–61. http://dx.doi.org/10.1002/anie.201809018.

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44

Nasser, Nasser, Mahmood Azizpoor Fard, Paul D. Boyle et Richard J. Puddephatt. « Oxygen atom transfer to platinum(II) : A 2-pyridyloxaziridine and a 2-pyridylnitrone as potential oxygen atom donors ». Journal of Organometallic Chemistry 858 (mars 2018) : 67–77. http://dx.doi.org/10.1016/j.jorganchem.2017.12.043.

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45

Czylkowska, Agnieszka, Małgorzata Szczesio, Anna Pietrzak, Anita Raducka et Bartłomiej Rogalewicz. « Novel Coordination Polymer of Cadmium (II) with L-Tryptophan ». Materials 13, n^o 10 (14 mai 2020) : 2266. http://dx.doi.org/10.3390/ma13102266.

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A new cadmium (II) polymeric coordination compound with tryptophan (Trp) of general formula {[Cd(L-Trp)2(H2O)Cl]∙(Trp)∙(H2O)}n was synthesized. The monocrystals of the investigated complex were obtained using the method of slow evaporation. The crystal and molecular structure was determined. The compound was crystallized in the orthorhombic P212121 space group. The cadmium atom was seven coordinates by two oxygen atoms from one bidentate-chelating carboxylate group of bridging Trp, two oxygen atoms from one bidentate-chelating carboxylate group from a monodentate organic ligand, one oxygen atom of water molecule, one nitrogen atom of the amino group from bridging Trp and one chlorine atom, which means that every tridentate Trp substituent was bridging towards one cadmium atom and bidentate chelating towards one another. The monodentate Trp is a zwitterionic molecule. The coordination led to the formation of 1D supramolecular chains entrapping water and Trp molecules.

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Vynohradov, Oleksandr S., Vadim A. Pavlenko, Dina D. Naumova, Sofiia V. Partsevska, Sergiu Shova et Safarmamad M. Safarmamadov. « Crystal structure of bis{μ-2-[bis(2-hydroxyethyl)amino]ethanolato}bis(μ-3,5-dimethylpyrazolato)tricopper(II) dibromide sesquihydrate ». Acta Crystallographica Section E Crystallographic Communications 76, n^o 10 (11 septembre 2020) : 1641–44. http://dx.doi.org/10.1107/s2056989020012323.

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In the title bicyclic trinuclear pyrazolate aminoalcohol complex, [Cu3(C5H7N2)2(C6H14NO3)2]Br2·1.5H2O, the central Cu atom lies on a center of symmetry and is involved in the formation of two five-membered rings. It has a coordination number of 4, is in a distorted tetrahedral environment and is connected by the bridging oxygen atoms of the deprotonated OH groups of different aminoalcohol groups, and by the N atoms of deprotonated dimethylpyrazole ligands. The peripheral Cu atom is in a trigonal–bipyramidal coordination environment formed by the nitrogen atom of the deprotonated bridging dimethylpyrazole unit, the bridging oxygen atom of the deprotonated OH group, two oxygen atoms of the protonated hydroxy groups and the nitrogen atom of triethanolamine. One of the C atoms and the Br− anion were found to be disordered over two positions with occupancy factors of 0.808 (9):0.192 (9) and 0.922 (3):0.078 (3), respectively.

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47

Negrete-Raymond, Ana C., Barbara Weder et Lawrence P. Wackett. « Catabolism of Arylboronic Acids by Arthrobacter nicotinovorans Strain PBA ». Applied and Environmental Microbiology 69, n^o 7 (juillet 2003) : 4263–67. http://dx.doi.org/10.1128/aem.69.7.4263-4267.2003.

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ABSTRACT Arthrobacter sp. strain PBA metabolized phenylboronic acid to phenol. The oxygen atom in phenol was shown to be derived from the atmosphere using 18O2. 1-Naphthalene-, 2-naphthalene-, 3-cyanophenyl-, 2,5-fluorophenyl-, and 3-thiophene-boronic acids were also transformed to monooxygenated products. The oxygen atom in the product was bonded to the ring carbon atom originally bearing the boronic acid substituent with all the substrates tested.

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Lin, Yichao, Minghui Guo, Jin Liu, Laijin Tian et Xicheng Liu. « Synthesis and structural characterization of the complexes of 2-(menthoxycarbonyl)ethyltin chloride ». Main Group Metal Chemistry 42, n^o 1 (25 mai 2019) : 37–45. http://dx.doi.org/10.1515/mgmc-2019-0003.

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AbstractThe complexes of 2-(menthoxycarbonyl)ethyltin chloride, MenOCOCH2CH2SnCl3⋅L (Men = Menthyl, L = benzyl phenyl sulfoxide (bpSO), 1; 2,2’-bipyridine (bpy), 2; 1,10-phenanthroline (phen), 3) and [MenOCOCH2CH2SnCl2(OCH3)]2 (4), have been synthesized and characterized by means of elemental analysis, FT-IR, NMR (1H, 13C and 119Sn) spectra. The crystal structures of 1, 3 and 4 have been determined by single crystal X-ray diffraction. The tin atoms in 1-4 are all hexa-coordinated. The tin atom in 1 adopts a distorted [CSnCl3O2] octahedral geometry with an oxygen atom of the ligand and an intramolecular coordination of the oxygen atom from the carbonyl group to the tin atom. Complex 3 possesses a distorted [CSnCl3N2] octahedral geometry with two nitrogen atoms of a chelating phen ligand. The carbonyl oxygen atom of the ester moiety is not coordinating. Compound 4 is a centrosymmetric dimer with a four-membered Sn2O2 ring, and the tin atom has a distorted [CSnCl2O3] octahedral geometry with an intramolecular C=O→Sn coordination and intermolecular methoxy bridging.

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Katsoulakou, Eugenia, Konstantis F. Konidaris, Catherine P. Raptopoulou, Vassilis Psyharis, Evy Manessi-Zoupa et Spyros P. Perlepes. « Synthesis, X-Ray Structure, and Characterization ofCatena-bis(benzoate)bis{N,N-bis(2-hydroxyethyl)glycinate}cadmium(II) ». Bioinorganic Chemistry and Applications 2010 (2010) : 1–8. http://dx.doi.org/10.1155/2010/281932.

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The reaction of -bis(2-hydroxyethyl)glycine (bicine; ) with in MeOH yielded the polymeric compound . The complex crystallizes in the tetragonal space group . The lattice constants are and Å. The compound contains chains of repeating units. One atom is coordinated by two carboxylate oxygen, four hydroxyl oxygen, and two nitrogen atoms from two symmetry-related 2.21111 (Harris notation) ligands. The other atom is coordinated by six carboxylate oxygen atoms, four from two ligands and two from the monodentate benzoate groups. Each bicinate(-1) ligand chelates the 8-coordinate, square antiprismatic atom through one carboxylate oxygen, the nitrogen, and both hydroxyl oxygen atoms and bridges the second, six-coordinate trigonal prismatic center through its carboxylate oxygen atoms. Compound1is the first structurally characterized cadmium(II) complex containing any anionic form of bicine as ligand. IR data of1are discussed in terms of the coordination modes of the ligands and the known structure.

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SONNET, PHILIPPE, LOUISE STAUFFER et CHRISTIAN MINOT. « PERIODIC HARTREE–FOCK CALCULATION OF THE OXIDATION OF Si(111) ». Surface Review and Letters 06, n^o 06 (décembre 1999) : 1031–36. http://dx.doi.org/10.1142/s0218625x99001116.

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We present Hartree–Fock calculations of the adsorption of oxygen on a Si(111)-(2×2) surface, which models the Si(111)-(7×7) structure, including its two main sites (adatom and rest atom sites). In the most stable configurations, molecules dissociate leading to atomic oxygen bridging the adatom backbonds. The molecular adsorption is less favorable. The dioxygen, however, is a local minimum of the potential surface in two cases: (i) in the "grif" geometry; (ii) bridging between a rest atom and an adatom. It then represents a possible precursor for the early stage of oxidation. The presence of an oxygen atom already adsorbed on the surface enhances the heat of adsorption of other oxygen (atomic or molecular) on the same site.

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