Understanding noncovalent bonds and their controlling forces.

作者: Steve Scheiner

DOI: 10.1063/5.0026168

关键词:

摘要: The fundamental underpinnings of noncovalent bonds are presented, focusing on the σ-hole interactions that closely related to H-bond. Different means assessing their strength and factors control it discussed. establishment a bond is monitored as two subunits brought together, allowing electrostatic, charge redistribution, other effects slowly take hold. Methods discussed permit prediction which site an approaching nucleophile will be drawn, maximum number around central atom in its normal or hypervalent states assessed. manner pair anions can held together despite overall Coulombic repulsion explained. possibility first-row atoms participate such discussed, along with introduction tetrel analog dihydrogen bond.

参考文章(271)
Jack D. Dunitz, Intermolecular atom–atom bonds in crystals? IUCrJ. ,vol. 2, pp. 157- 158 ,(2015) , 10.1107/S2052252515002006
Frank Weinhold, Roger A. Klein, Anti-electrostatic hydrogen bonds. Angewandte Chemie. ,vol. 53, pp. 11214- 11217 ,(2014) , 10.1002/ANIE.201405812
Alessandra Forni, Stefano Pieraccini, Stefano Rendine, Maurizio Sironi, Halogen bonds with benzene: an assessment of DFT functionals. Journal of Computational Chemistry. ,vol. 35, pp. 386- 394 ,(2014) , 10.1002/JCC.23507
Michal Kolář, Pavel Hobza, Agnieszka K. Bronowska, Plugging the explicit σ-holes in molecular docking Chemical Communications. ,vol. 49, pp. 981- 983 ,(2013) , 10.1039/C2CC37584B
Antonio Bauzá, Tiddo J. Mooibroek, Antonio Frontera, Tetrel‐Bonding Interaction: Rediscovered Supramolecular Force? Angewandte Chemie. ,vol. 52, pp. 12317- 12321 ,(2013) , 10.1002/ANIE.201306501
B. Raghavendra, E. Arunan, Hydrogen bonding with a hydrogen bond: The methane-water complex and the penta-coordinate carbon Chemical Physics Letters. ,vol. 467, pp. 37- 40 ,(2008) , 10.1016/J.CPLETT.2008.11.009
Dror M. Bittner, Daniel P. Zaleski, Susanna L. Stephens, Nicholas R. Walker, Anthony C. Legon, The σ-hole interaction between sulfur hexafluoride and ammonia characterised by broadband rotational spectroscopy. ChemPhysChem. ,vol. 16, pp. 2630- 2634 ,(2015) , 10.1002/CPHC.201500455
Na Cheng, Fuzhen Bi, Yongjun Liu, Changqiao Zhang, Chengbu Liu, The structures and properties of halogen bonds involving polyvalent halogen in complexes of FXOn (X = Cl, Br; n=0-3)-CH3CN New Journal of Chemistry. ,vol. 38, pp. 1256- 1263 ,(2014) , 10.1039/C3NJ01015E
Sajesh P. Thomas, Mysore S. Pavan, T. N. Guru Row, Experimental evidence for ‘carbon bonding’ in the solid state from charge density analysis Chemical Communications. ,vol. 50, pp. 49- 51 ,(2014) , 10.1039/C3CC47226D