Effects of charge and substituent on the S···N chalcogen bond.

Abstract

Neutral complexes containing a S···N chalcogen bond are compared with similar systems in which a positive charge has been added to the S-containing electron acceptor, using high-level ab initio calculations. The effects on both XS···N and XS(+)···N bonds are evaluated for a range of different substituents X = CH3, CF3, NH2, NO2, OH, Cl, and F, using NH3 as… (More)
DOI: 10.1021/jp501449v

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Cite this paper

@article{Adhikari2014EffectsOC, title={Effects of charge and substituent on the S···N chalcogen bond.}, author={Upendra Adhikari and Steve Scheiner}, journal={The journal of physical chemistry. A}, year={2014}, volume={118 17}, pages={3183-92} }