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.