Abstract
The calculated electron density distribution for orpiment, As 2S3, reveals that As-S, S-S, and A-As bond paths are associated with the experimental interlayer directed bonded interactions detected in a combined infrared and Raman study. The successful modeling of the infrared-and Raman-determined interlayer bonded interactions together with bond paths and the structuralization of a variety of inorganic molecules in terms of key-lock bond path mainstays support the argument that van der Waals forces in inorganic molecular crystals are directional.
Original language | English (US) |
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Pages (from-to) | 6550-6557 |
Number of pages | 8 |
Journal | Journal of Physical Chemistry A |
Volume | 114 |
Issue number | 23 |
DOIs | |
State | Published - Jun 17 2010 |
ASJC Scopus subject areas
- Physical and Theoretical Chemistry