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Artículos de revistas sobre el tema "Intermolecular Bonding"

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Autor: Grafiati
Publicado: 6 de septiembre de 2023

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1

Chang, Guanjun, Li Yang, Xianpan Shi, Lin Zhang y Runxiong Lin. "Intermolecular hydrogen bonding of polyiminosulfone". Polymer Science Series A 57, n.º 2 (marzo de 2015): 251–55. http://dx.doi.org/10.1134/s0965545x15020030.

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2

Katovic, Zvonimir y Miljenko Stefanic. "Intermolecular hydrogen bonding in novolacs". Industrial & Engineering Chemistry Product Research and Development 24, n.º 2 (junio de 1985): 179–85. http://dx.doi.org/10.1021/i300018a001.

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3

Wash, Paul L., Emily Maverick, John Chiefari y David A. Lightner. "Acid−Amide Intermolecular Hydrogen Bonding". Journal of the American Chemical Society 119, n.º 16 (abril de 1997): 3802–6. http://dx.doi.org/10.1021/ja963416e.

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4

Ray, Upamanyu, Zhenqian Pang y Teng Li. "Programming material properties by tuning intermolecular bonding". Journal of Applied Physics 132, n.º 21 (7 de diciembre de 2022): 210703. http://dx.doi.org/10.1063/5.0123058.

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Conventional strategies for materials design have long been used by leveraging primary bonding, such as covalent, ionic, and metallic bonds, between constituent atoms. However, bond energy required to break primary bonds is high. Therefore, high temperatures and enormous energy consumption are often required in processing and manufacturing such materials. On the contrary, intermolecular bonds (hydrogen bonds, van der Waals forces, electrostatic interactions, imine bonds, etc.) formed between different molecules and functional groups are relatively weaker than primary bonds. They, thus, require less energy to break and reform. Moreover, intermolecular bonds can form at considerably longer bond lengths between two groups with no constraint on a specific bond angle between them, a feature that primary bonds lack. These features motivate unconventional strategies for the material design by tuning the intermolecular bonding between constituent atoms or groups to achieve superior physical properties. This paper reviews recent development in such strategies that utilize intermolecular bonding and analyzes how such design strategies lead to enhanced thermal stability and mechanical properties of the resulting materials. The applications of the materials designed and fabricated by tuning the intermolecular bonding are also summarized, along with major challenges that remain and future perspectives that call for further attention to maximize the potential of programming material properties by tuning intermolecular bonding.
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5

Singh, Praveen, Ranjeet Kumar y Ashish Kumar Tewari. "Hydrogen bonding framework in imidazole derivatives: Crystal structure and Hirshfeld surface analysis". European Journal of Chemistry 11, n.º 1 (31 de marzo de 2020): 50–59. http://dx.doi.org/10.5155/eurjchem.11.1.50-59.1945.

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A series of imidazole derivatives (1-3) were synthesized with three component reaction among benzil, ammonium acetate and formaldehyde/aromatic aldehyde at 110 °C without a catalyst and solvent. These synthesized imidazole derivatives have shown intermolecular hydrogen bonding such as N-H···N and O-H···N. The imidazole 1 and 2 exhibited N-H···N intermolecular hydrogen bonding while imidazole 3 exhibited O-H···N intermolecular hydrogen bonding. The hydrogen bonds in imidazoles were studied by X-ray crystallography and Hirshfeld Surface Analysis at dnorm surface which show the visible red spots, indicated for hydrogen bonds. Further, Hirshfeld surface analysis also shows the percentage of all intermolecular interactions.
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6

ZHANG, YAN, CHANG-SHENG WANG y ZHONG-ZHI YANG. "ESTIMATION ON THE INTRAMOLECULAR 8- AND 12-MEMBERED RING N–H…O=C HYDROGEN BONDING ENERGIES IN β-PEPTIDES". Journal of Theoretical and Computational Chemistry 08, n.º 02 (abril de 2009): 279–97. http://dx.doi.org/10.1142/s0219633609004708.

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Computation of accurate hydrogen bonding energies in peptides is of great importance in understanding the conformational stabilities of peptides. In this paper, the intramolecular 8- and 12-membered ring N – H … O = C hydrogen bonding energies in β-peptide structures were evaluated. The optimal structures of the β-peptide conformers were obtained using MP2/6-31G(d) method. The MP2/6-311++G(d,p) calculations were then carried out to evaluate the single-point energies. The results show that the intramolecular 8-membered ring N – H … O = C hydrogen bonding energies in the five β-dipeptide structures β-di, β-di-R1, β-di-R2, β-di-R3, and β-di-R4 are -5.50, -5.40, -7.28, -4.94, and -6.84 kcal/mol with BSSE correction, respectively; the intramolecular 12-membered ring N – H … O = C hydrogen bonding energies in the nine β-tripeptide structures β-tri, β-tri-R1, β-tri-R2, β-tri-R3, β-tri-R4, β-tri-R1', β-tri-R2', β-tri-R3' and β-tri-R4' are -10.23, -10.32, -9.53, -10.30, -10.32, -10.55, -10.09, -10.51, and -9.60 kcal/mol with BSSE correction, respectively. Our calculation results further indicate that for the intramolecular 8-membered ring hydrogen bondings, the structures where the orientation of the side chain methyl group is "a–a" have stronger intramolecular hydrogen bondings than those where the orientation of the side chain methyl group is "e–e", while for the intramolecular 12-membered ring hydrogen bondings, the structures where the orientation of the side chain methyl group is "e–e" have stronger intramolecular hydrogen bondings than those where the orientation of the side chain methyl group is "a–a". The method is also applied to estimate the individual intermolecular hydrogen bonding energies in the dimers of amino-acetaldehyde, 2-amino-acetamide, 2-oxo-acetamide, and oxalamide, each dimer having two identical intermolecular hydrogen bonds. According to our method, the individual intermolecular hydrogen bonding energies in the four dimers are calculated to be -1.71, -1.50, -4.67, and -3.22 kcal/mol at the MP2/6-311++G(d,p) level, which are in good agreement with the values of -1.84, -1.72, -4.93, and -3.26 kcal/mol predicted by the supermolecular method.
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7

Jabłoński, Mirosław. "Intramolecular Hydrogen Bonding 2021". Molecules 26, n.º 20 (19 de octubre de 2021): 6319. http://dx.doi.org/10.3390/molecules26206319.

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8

Murray, Jane S., Kevin E. Riley, Peter Politzer y Timothy Clark. "Directional Weak Intermolecular Interactions: σ-Hole Bonding". Australian Journal of Chemistry 63, n.º 12 (2010): 1598. http://dx.doi.org/10.1071/ch10259.

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The prototypical directional weak interactions, hydrogen bonding and σ-hole bonding (including the special case of halogen bonding) are reviewed in a united picture that depends on the anisotropic nature of the molecular electrostatic potential around the donor atom. Qualitative descriptions of the effects that lead to these anisotropic distributions are given and examples of the importance of σ-hole bonding in crystal engineering and biological systems are discussed.
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9

Lee, Jung-Woo, Jung-Il Jin, M. F. Achard y F. Hardouin. "Incommensurability induced by intermolecular hydrogen bonding". Liquid Crystals 28, n.º 5 (mayo de 2001): 663–71. http://dx.doi.org/10.1080/02678290010028726.

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10

Mahajan, R., H. Nandedkar y V. Suthar. "Intermolecular Hydrogen Bonding in Mixed Mesomorphism". Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals 330, n.º 1 (1 de agosto de 1999): 511–16. http://dx.doi.org/10.1080/10587259908025628.

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11

Missopolinou, Doukeni y Costas Panayiotou. "On intramolecular and intermolecular hydrogen bonding". Fluid Phase Equilibria 156, n.º 1-2 (marzo de 1999): 51–56. http://dx.doi.org/10.1016/s0378-3812(99)00023-0.

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12

Vila, Antonio, Esther Vila y Ricardo A. Mosquera. "Topological characterisation of intermolecular lithium bonding". Chemical Physics 326, n.º 2-3 (agosto de 2006): 401–8. http://dx.doi.org/10.1016/j.chemphys.2006.02.032.

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13

Bertolotti, Federica, Anastasia V. Shishkina, Alessandra Forni, Giuliana Gervasio, Adam I. Stash y Vladimir G. Tsirelson. "Intermolecular Bonding Features in Solid Iodine". Crystal Growth & Design 14, n.º 7 (9 de junio de 2014): 3587–95. http://dx.doi.org/10.1021/cg5005159.

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14

Giles, C. H., J. Gallagher, A. McIntosh y S. N. Nakhwa. "Some Quantitative Tests of Intermolecular Bonding in Solution-Hydrogen Bonding*". Journal of the Society of Dyers and Colourists 88, n.º 10 (22 de octubre de 2008): 360–63. http://dx.doi.org/10.1111/j.1478-4408.1972.tb03040.x.

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15

Arola, D., S. Ghods, C. Son, S. Murcia y E. A. Ossa. "Interfibril hydrogen bonding improves the strain-rate response of natural armour". Journal of The Royal Society Interface 16, n.º 150 (enero de 2019): 20180775. http://dx.doi.org/10.1098/rsif.2018.0775.

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Fish scales are laminated composites that consist of plies of unidirectional collagen fibrils with twisted-plywood stacking arrangement. Owing to their composition, the toughness of scales is dependent on the intermolecular bonding within and between the collagen fibrils. Adjusting the extent of this bonding with an appropriate stimulus has implications for the design of next-generation bioinspired flexible armours. In this investigation, scales were exposed to environments of water or a polar solvent (i.e. ethanol) to influence the extent of intermolecular bonding, and their mechanical behaviour was evaluated in uniaxial tension and transverse puncture. Results showed that the resistance to failure of the scales increased with loading rate in both tension and puncture and that the polar solvent treatment increased both the strength and toughness through interpeptide bonding; the largest increase occurred in the puncture resistance of scales from the tail region (a factor of nearly 7×). The increase in strength and damage tolerance with stronger intermolecular bonding is uncommon for structural materials and is a unique characteristic of the low mineral content. Scales from regions of the body with higher mineral content underwent less strengthening, which is most likely the result of interference posed by the mineral crystals to intermolecular bonding. Overall, the results showed that flexible bioinspired composite materials for puncture resistance should enrol constituents and complementary processing that capitalize on interfibril bonds.
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16

Kulińska, K. y M. Wiewiórowski. "A comparative study on the dynamics of epimeric 1-hydroxymethyl quinolizidines: II. The solvent and concentration dependence of the association properties". Canadian Journal of Chemistry 66, n.º 9 (1 de septiembre de 1988): 2166–71. http://dx.doi.org/10.1139/v88-344.

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The homo and heteroassociation patterns of lupinine and epilupinine in different solvents and at various concentrations have been studied. In n-hexane, n-heptane, CCl4, and C2H4Cl2 solvents, lupinine monomers with an intramolecular OH … N hydrogen bond dominate over homoassociates with an OH … O′ intermolecular hydrogen bond even in concentrated solutions. Homoassociation of lupinine by intermolecular OH … N′ hydrogen bonding is observed only in saturated solutions. In chloroform solution any intermolecular homoassociation is effectively blocked because of significant affinity of chloroform molecules acting as a weak acid toward the free electron pairs of the oxygen atom from the hydroxyl group that would be otherwise engaged in intramolecular OH … N hydrogen bonding. Epilupinine in n-hexane, n-heptane, CCl4, C2H4Cl2, and chloroform solutions forms possible homoassociates both by OH … N′ and OH … O′ intermolecular hydrogen bonding. In dioxane-d8, DMSO, and D2O solvents both lupinine and epilupinine form heteroassociates with solvent molecules.
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17

McArdle, Patrick. "Pixel calculations using Orca or GAUSSIAN for electron density automated within the Oscail package". Journal of Applied Crystallography 54, n.º 5 (29 de septiembre de 2021): 1535–41. http://dx.doi.org/10.1107/s1600576721008529.

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Many discussions of the intermolecular interactions in crystal structures concentrate almost exclusively on an analysis of hydrogen bonding. A simple analysis of atom–atom distances is all that is required to detect and analyse hydrogen bonding. However, for typical small-molecule organic crystal structures, hydrogen-bonding interactions are often responsible for less than 50% of the crystal lattice energy. It is more difficult to analyse intermolecular interactions based on van der Waals interactions. The Pixel program can calculate and partition intermolecular energies into Coulombic, polarization, dispersion and repulsion energies, and help put crystal structure discussions onto a rational basis. This Windows PC implementation of Pixel within the Oscail package requires minimal setup and can automatically use GAUSSIAN or Orca for the calculation of electron density.
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18

Geiger, David K., H. Cristina Geiger y Shawn M. Moore. "Intermolecular interactions in a phenol-substituted benzimidazole". Acta Crystallographica Section E Crystallographic Communications 75, n.º 2 (29 de enero de 2019): 272–76. http://dx.doi.org/10.1107/s2056989019001270.

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Hydrogen bonding plays an important role in the design of solid-state structures and gels with desirable properties. 1-(4-Hydroxybenzyl)-2-(4-hydroxyphenyl)-5,6-dimethyl-1H-benzimidazole was isolated as the acetone disolvate, C22H20N2O2·2C3H6O. O—H...N hydrogen bonding between benzimidazole molecules results in chains parallel to [010]. One of the acetone solvate molecules participates in O—H...O hydrogen bonding with the benzimidazole derivative. C—H...π interactions are observed in the extended structure. Hirshfeld surface analysis was used to explore the intermolecular interactions and density functional theory was used to estimate the strength of the hydrogen bonds.
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19

Shahi, Abhishek y Elangannan Arunan. "Hydrogen bonding, halogen bonding and lithium bonding: an atoms in molecules and natural bond orbital perspective towards conservation of total bond order, inter- and intra-molecular bonding". Phys. Chem. Chem. Phys. 16, n.º 42 (2014): 22935–52. http://dx.doi.org/10.1039/c4cp02585g.

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In D–X⋯A bonding (X = H/Cl/Li), there is a conservation of bond order that includes both ionicity and covalency in both D–X and X⋯A bonds. This should be applicable to any atom X involved in intermolecular bonding.
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20

Kumar Panja, Sumit. "Weak Intermolecular Interactions and Molecular Cluster in Ionic Liquids". Oriental Journal of Physical Sciences 6, n.º 1-2 (28 de febrero de 2022): 04–06. http://dx.doi.org/10.13005/ojps06.01-02.02.

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Presently, we are working on weak intermolecular interaction (aliphatic H-bonding and ?-? stacking interaction) in imidazolium and piperidinium-based ionic liquids. The weak interactions play a crucial role in the physical properties of ILs. Further, the significance of weak interactions on cluster formation and extended intermolecular interaction in these ILs have been investigated in our laboratory. The vibrational spectroscopic techniques (Raman and FTIR) have been employed to understand the effect of H-bonding interaction on physical property and molecular cluster formation of ILs. Further, DFT calculations help for better understanding the intermolecular interactions at the molecular level.
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21

O'Hanlo, Dominic y Robert J. Forster. "Intermolecular Hydrogen Bonding: Two-Component Anthraquinone Monolayers". Langmuir 16, n.º 2 (enero de 2000): 702–7. http://dx.doi.org/10.1021/la990882j.

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22

Kroon, J., L. M. J. Kroon-Batenburg, B. R. Leeflang y J. F. G. Vliegenthart. "Intramolecular versus intermolecular hydrogen bonding in solution". Journal of Molecular Structure 322 (junio de 1994): 27–31. http://dx.doi.org/10.1016/0022-2860(94)87018-7.

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23

Inauen, Andreas, Johannes Hewel y Samuel Leutwyler. "Intermolecular bonding and vibrations of phenol⋅oxirane". Journal of Chemical Physics 110, n.º 3 (15 de enero de 1999): 1463–74. http://dx.doi.org/10.1063/1.478021.

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24

Gou, Qian, Lorenzo Spada, Montserrat Vallejo-Lopez, Sonia Melandri, Alberto Lesarri, Emilio J. Cocinero y Walther Caminati. "Intermolecular Hydrogen Bonding in 2-Fluoropyridine-Water". ChemistrySelect 1, n.º 6 (1 de mayo de 2016): 1273–77. http://dx.doi.org/10.1002/slct.201600370.

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25

Zhang, Rui-Lian, Ya-Lan Guan, Mi Xiao y Xin-Cai Xiao. "Mobile Gates Driven by Intermolecular Hydrogen Bonding". ChemistrySelect 2, n.º 1 (9 de enero de 2017): 279–82. http://dx.doi.org/10.1002/slct.201601617.

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26

Caminati, Walther, Laura B. Favero, Paolo G. Favero, Assimo Maris y Sonia Melandri. "Intermolecular Hydrogen Bonding between Water and Pyrazine". Angewandte Chemie International Edition 37, n.º 6 (3 de abril de 1998): 792–95. http://dx.doi.org/10.1002/(sici)1521-3773(19980403)37:6<792::aid-anie792>3.0.co;2-r.

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27

Ashkinadze, L. D., Yu N. Polivin, A. I. Yanovskii, Yu T. Struchkov, V. N. Postnov y V. A. Sazonova. "Intermolecular hydrogen bonding in ?-hydroxycarbonyl ferrocene compounds". Bulletin of the Academy of Sciences of the USSR Division of Chemical Science 34, n.º 7 (julio de 1985): 1530–32. http://dx.doi.org/10.1007/bf00950166.

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28

Rojas-Valencia, Natalia, Sara Gómez, Doris Guerra y Albeiro Restrepo. "A detailed look at the bonding interactions in the microsolvation of monoatomic cations". Physical Chemistry Chemical Physics 22, n.º 23 (2020): 13049–61. http://dx.doi.org/10.1039/d0cp00428f.

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29

Steyl, Gideon, Leo Kirsten y Andreas Roodt. "trans-Dichlorobis[diphenyl(p-tolyl)phosphine]palladium(II)". Acta Crystallographica Section E Structure Reports Online 62, n.º 7 (30 de junio de 2006): m1705—m1707. http://dx.doi.org/10.1107/s1600536806023853.

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The centrosymmetric title compound, [PdCl2(C19H17P)2], crystallizes with a square-planar geometry about the PdII metal centre. The most important bond distances include Pd—P (trans P) of 2.3404 (9) Å and Pd—Cl (trans Cl) of 2.2977 (12) Å. Weak intra- and intermolecular hydrogen bonding is observed in the solid-state structure between the chloro and phenyl H atoms. This weak intermolecular hydrogen-bonding pattern forms a one-dimensional chain along the b axis.
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30

Ilangovan, Andivelu, Perumal Venkatesan y Rajendran Ganesh Kumar. "Hydrogen bonding due to regioisomerism and its effect on the supramolecular architecture of diethyl 2-[(2/4-hydroxyanilino)methylidene]malonates". Acta Crystallographica Section C Crystal Structure Communications 69, n.º 1 (13 de diciembre de 2012): 70–73. http://dx.doi.org/10.1107/s0108270112047257.

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Diethyl 2-[(2-hydroxyanilino)methylidene]malonate, (I), and diethyl 2-[(4-hydroxyanilino)methylidene]malonate, (II), both C14H17NO5, crystallize in centrosymmetric orthorhombic and monoclinic crystal systems, respectively. Compound (I) resides on a crystallographic mirror plane and displays bifurcated intramolecular hydrogen bonding, as well as intermolecular hydrogen bonding due to the position of the hydroxy group. Compound (II) has a single intramolecular N—H...O hydrogen bond. Infinite one-dimensional head-to-tail chains formed by O—H...O hydrogen bonding are present in both structures. The molecular packing is mainly influenced by the intermolecular O—H...O interactions. Additionally, C—H...O interactions crosslinking the chains are found in (II).
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31

Dittrich, Birger. "Is there a future for topological analysis in experimental charge-density research?" Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 73, n.º 3 (1 de junio de 2017): 325–29. http://dx.doi.org/10.1107/s2052520617006680.

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Topological analysis using Bader and co-worker'sAtoms in Moleculestheory has seen many applications in theoretical chemistry and experimental charge-density research. A brief overview of successful early developments, establishing topological analysis as a research tool for characterizing intramolecular chemical bonding, is provided. A lack of vision in many `descriptive but not predictive' subsequent studies is discussed. Limitations of topology for providing accurate energetic estimates of intermolecular interaction energies are put into perspective. It is recommended that topological analyses of well understood bonding situations are phased out and are only reported for unusual bonding. Descriptive studies of intermolecular interactions should have a clear research focus.
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32

Du, Wei-Ting, Yen-Ling Kuan y Shiao-Wei Kuo. "Intra- and Intermolecular Hydrogen Bonding in Miscible Blends of CO2/Epoxy Cyclohexene Copolymer with Poly(Vinyl Phenol)". International Journal of Molecular Sciences 23, n.º 13 (24 de junio de 2022): 7018. http://dx.doi.org/10.3390/ijms23137018.

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In this study, we synthesized a poly(cyclohexene carbonate) (PCHC) through alternative ring-opening copolymerization of CO2 with cyclohexene oxide (CHO) mediated by a binary LZn2OAc2 catalyst at a mild temperature. A two-dimensional Fourier transform infrared (2D FTIR) spectroscopy indicated that strong intramolecular [C–H···O=C] hydrogen bonding (H-bonding) occurred in the PCHC copolymer, thereby weakening its intermolecular interactions and making it difficult to form miscible blends with other polymers. Nevertheless, blends of PCHC with poly(vinyl phenol) (PVPh), a strong hydrogen bond donor, were miscible because intermolecular H-bonding formed between the PCHC C=O units and the PVPh OH units, as evidenced through solid state NMR and one-dimensional and 2D FTIR spectroscopic analyses. Because the intermolecular H-bonding in the PCHC/PVPh binary blends were relatively weak, a negative deviation from linearity occurred in the glass transition temperatures (Tg). We measured a single proton spin-lattice relaxation time from solid state NMR spectra recorded in the rotating frame [T1ρ(H)], indicating full miscibility on the order of 2–3 nm; nevertheless, the relaxation time exhibited a positive deviation from linearity, indicating that the hydrogen bonding interactions were weak, and that the flexibility of the main chain was possibly responsible for the negative deviation in the values of Tg.
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33

Kruszynski, Rafal y Tomasz Sieranski. "The intermolecular interactions in the aminonitromethylbenzenes". Open Chemistry 9, n.º 1 (1 de febrero de 2011): 94–105. http://dx.doi.org/10.2478/s11532-010-0118-8.

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AbstractThe intermolecular non-covalent interactions in aminonitromethylbenzenes namely 2-methyl-4-nitroaniline, 4-methyl-3-nitroaniline, 2-methyl-6-nitroaniline, 4-amino-2,6-dinitrotoluene, 2-methyl-5-nitroaniline, 4-methyl-2-nitroaniline, 2,3-dimethyl-6-nitroaniline, 4,5-dimethyl-2-nitroaniline and 2-methyl-3,5-dinitroaniline were studied by quantum mechanical calculations at RHF/311++G(3df,2p) and B3LYP/311++G(3df,2p) level of theory. The calculations prove that solely geometrical study of hydrogen bonding can be very misleading because not all short distances (classified as hydrogen bonds on the basis of interaction geometry) are bonding in character. For studied compounds interaction energy ranges from 0.23 kcal mol−1 to 5.59 kcal mol−1. The creation of intermolecular hydrogen bonds leads to charge redistribution in donors and acceptors. The Natural Bonding Orbitals analysis shows that hydrogen bonds are created by transfer of electron density from the lone pair orbitals of the H-bond acceptor to the antibonding molecular orbitals of the H-bond donor and Rydberg orbitals of the hydrogen atom. The stacking interactions are the interactions of delocalized molecular π-orbitals of the one molecule with delocalized antibonding molecular π-orbitals and the antibonding molecular σ-orbital created between the carbon atoms of the second aromatic ring and vice versa.
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34

de Feyter, S., A. Miura, H. Uji-i, P. Jonkheijm, A. P. H. J. Schenning, E. W. Meijer, Z. Chen et al. "Supramolecular Chemistry at the Liquid/Solid Interface a Scanning Tunneling Microscopy Approach". Solid State Phenomena 121-123 (marzo de 2007): 369–72. http://dx.doi.org/10.4028/www.scientific.net/ssp.121-123.369.

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With scanning tunneling microscopy (STM), the intramolecular conformational and intermolecular ordering aspects have been investigated of a variety of organic molecules physisorbed at the liquid-solid interface. By balancing the interplay between intramolecular and intermolecular interactions (hydrogen bonding), leading to control of the molecular conformation, foldamers were created which order into well-defined two-dimensional crystals. The nature of the hydrogen bonding groups in conjugated oligomers leads to the formation of infinite stacks and cyclic multimers, expressing the chiral nature of the molecules.
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35

Rosokha, Sergiy V. y Atash V. Gurbanov. "Editorial: Advanced Research in Halogen Bonding". Crystals 12, n.º 2 (19 de enero de 2022): 133. http://dx.doi.org/10.3390/cryst12020133.

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The Special Issue on “Advanced Research in Halogen Bonding” is a collection of 17 original articles reporting the results of theoretical and experimental studies that provide new insights into this fascinating intermolecular interaction [...]
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36

Gurbanov, Atash V., Maxim L. Kuznetsov, Svetlana D. Demukhamedova, Irada N. Alieva, Niftali M. Godjaev, Fedor I. Zubkov, Kamran T. Mahmudov y Armando J. L. Pombeiro. "Role of substituents on resonance assisted hydrogen bonding vs. intermolecular hydrogen bonding". CrystEngComm 22, n.º 4 (2020): 628–33. http://dx.doi.org/10.1039/c9ce01744e.

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37

Jiao, Ti Feng y Jing Xin Zhou. "Research on Hydrogen Bonding Interaction of Trigonal Schiff Base Compound with Barbituric Acid in Organized Molecular Films". Materials Science Forum 694 (julio de 2011): 528–32. http://dx.doi.org/10.4028/www.scientific.net/msf.694.528.

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In order to investigate the supramolecular assembly and intermolecular hydrogen bonding of special amphiphile, a trigonal Schiff base compound was designed and synthesized, and it supramolecular assembly and interaction properties were investigated by spectral measurements. It was found that the Schiff base compound can be spread on water surface to form stable monolayer. When it was spread on the subphase containing barbituric acid, it can show hydrogen bonding interaction with barbituric acid. Due to the directionality and strong matching of hydrogen bond, two barbituric acid molecules can be encapsulated into intramolecular space of the trigonal Schiff base compound through intermolecular H-bonding to form a 1:2 complex. A rational complex mode was proposed.
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38

Qureshi, Naseem, Dimitri S. Yufit, Kirsty M. Steed, Judith A. K. Howard y Jonathan W. Steed. "Hydrogen bonding effects in anion binding calixarenes". CrystEngComm 16, n.º 36 (2014): 8413–20. http://dx.doi.org/10.1039/c4ce01240b.

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39

Vologzhanina, Anna y Konstantin Lyssenko. "Halogen bonding in iron(II) and cobalt(II) tris(dichloroglyoximates)". Acta Crystallographica Section A Foundations and Advances 70, a1 (5 de agosto de 2014): C679. http://dx.doi.org/10.1107/s2053273314093206.

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The understanding of the interplay between intermolecular strong and weak interactions requires approaches that are able to identify and quantify all of them, and are applicable to as large number of objects as possible. The QTAIM approach [1] nicely meets the first criteria. Less rigorous approaches, such as the Stockholder [2] and the Voronoi [3] partitioning have the second advantage. The latter can also give qualitative, quantitative and visual representation of intermolecular interactions. We compared how all these approaches would perform for two polymorphs of Fe(Cl2Gm)3(BCH3)2 (monoclinic C (1a), and less stable monoclinic P (1b)) and Co(Cl2Gm)3(BCH3)2 (2) isostructural with 1b (Cl2Gm = dichloroglyoximate). The Voronoi and Stockholder partitionings showed that three fourths of molecular surfaces were attributed to Cl...X (X = Cl, O, N) and C-H...Cl bonds. According to the QTAIM theory, each chlorine atom takes part in at least four intermolecular contacts. The Voronoi tessellation was found to be valid for determinating of the graph of intermolecular bonding. Indeed, in the isostructural 1b and 2 the sets of weak interactions do not coincide due to various conformations of iron- and cobalt-containing clathrochelate cages. Nevertheless, the resulting graph of intermolecular bonding (the gpu-x net) is the same. Qualitative (for all three approaches) and quantitative (for two partitionings) correlation for various methods was demonstrated. This study was supported by the Council of the President of the Russian Federation (MK-5181.2013.3 and MD- 3589.2014.3).
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40

Nawaz, Hamid, M. Khawar Rauf, Yasuhiro Fuma, Masahiro Ebihara y Amin Badshah. "Methyl 2-[2-(2,6-dichloroanilino)phenyl]acetate". Acta Crystallographica Section E Structure Reports Online 63, n.º 3 (9 de febrero de 2007): o1228—o1229. http://dx.doi.org/10.1107/s1600536807005065.

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The title compound, C15H13Cl2NO2, exhibits intramolecular hydrogen bonding between the amino N and methoxy O atoms, and no intermolecular hydrogen bonding, contrary to previous studies. The dihedral angle between the two benzene rings is 74.99 (7)°.
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41

Lee, Jiwon, Lucia Myongwon Lee, Zachary Arnott, Hilary Jenkins, James F. Britten y Ignacio Vargas-Baca. "Sigma-hole interactions in the molecular and crystal structures of N-boryl benzo-2,1,3-selenadiazoles". New Journal of Chemistry 42, n.º 13 (2018): 10555–62. http://dx.doi.org/10.1039/c8nj00553b.

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42

Golnak, Ronny, Jie Xiao, Kaan Atak, Joanna S. Stevens, Adrian Gainar, Sven L. M. Schroeder y Emad F. Aziz. "Intermolecular bonding of hemin in solution and in solid state probed by N K-edge X-ray spectroscopies". Physical Chemistry Chemical Physics 17, n.º 43 (2015): 29000–29006. http://dx.doi.org/10.1039/c5cp04529k.

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43

Prosmiti, Rita, Pablo Villarreal y Gerardo Delgado-Barrio. "Structure and bonding of ArClF: Intermolecular potential surface". Israel Journal of Chemistry 43, n.º 3-4 (diciembre de 2003): 279–86. http://dx.doi.org/10.1560/kkrp-xqkm-hfe0-9tpa.

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44

KUMAR, POLURI A., M. SRINIVASULU y VENKATA G. K. M. PISIPATI. "Induced smectic G phase through intermolecular hydrogen bonding". Liquid Crystals 26, n.º 9 (septiembre de 1999): 1339–43. http://dx.doi.org/10.1080/026782999204002.

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45

Sultanly, B. Yu, A. N. Shnulin, R. É. Aliev y M. N. Maharramov. "Intermolecular Hydrogen Bonding and Structure of 1,1-Diphenylethanol". Journal of Applied Spectroscopy 70, n.º 5 (septiembre de 2003): 683–87. http://dx.doi.org/10.1023/b:japs.0000008863.42922.58.

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46

Braga, Dario, Paul J. Dyson, Fabrizia Grepioni, Brian F. G. Johnson y Maria Jose Calhorda. "Intramolecular and Intermolecular Bonding in Benzene Cluster Isomers". Inorganic Chemistry 33, n.º 15 (julio de 1994): 3218–28. http://dx.doi.org/10.1021/ic00093a005.

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47

Jiang, Hao, Othonas A. Moultos, Ioannis G. Economou y Athanassios Z. Panagiotopoulos. "Hydrogen-Bonding Polarizable Intermolecular Potential Model for Water". Journal of Physical Chemistry B 120, n.º 48 (22 de noviembre de 2016): 12358–70. http://dx.doi.org/10.1021/acs.jpcb.6b08205.

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48

Ryltcev, R. y L. Son. "Phase transition in liquids with directed intermolecular bonding". Physica A: Statistical Mechanics and its Applications 368, n.º 1 (agosto de 2006): 101–10. http://dx.doi.org/10.1016/j.physa.2005.12.030.

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49

Jiang, Ming, Hong Xiao, Xiaoling Jin y Tongyin Yu. "Interpenetrating polymer networks with controllable intermolecular hydrogen bonding". Polymer Bulletin 23, n.º 1 (enero de 1990): 103–9. http://dx.doi.org/10.1007/bf00983971.

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50

Schütz, Martin, Thomas Bürgi, Samuel Leutwyler y Thomas Fischer. "Intermolecular bonding and vibrations of phenol⋅H2O (D2O)". Journal of Chemical Physics 98, n.º 5 (marzo de 1993): 3763–76. http://dx.doi.org/10.1063/1.464055.

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