Article ID Journal Published Year Pages File Type
5394763 Computational and Theoretical Chemistry 2012 6 Pages PDF
Abstract
► We present a systematic study of the interaction of the T-shaped geometries. ► How the influence of the different substituent groups in the donors for the dimers. ► Natural bond orbital (NBO) was carried out to provide the origin of C-H⋯π blue shift. ► Atoms in molecules (AIMs) was carried out to provide the origin of C-H⋯π blue shift.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Theoretical study of different substituent benzenes and benzene dimers blue-shifted hydrogen bonds
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