Bond paths and van der waals interactions in orpiment, As2S 3

G. V. Gibbs, A. F. Wallace, R. Zallen, R. T. Downs, N. L. Ross, D. F. Cox, K. M. Rosso

Research output: Contribution to journalArticle

17 Scopus citations

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 languageEnglish (US)
Pages (from-to)6550-6557
Number of pages8
JournalJournal of Physical Chemistry A
Volume114
Issue number23
DOIs
StatePublished - Jun 17 2010

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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    Gibbs, G. V., Wallace, A. F., Zallen, R., Downs, R. T., Ross, N. L., Cox, D. F., & Rosso, K. M. (2010). Bond paths and van der waals interactions in orpiment, As2S 3. Journal of Physical Chemistry A, 114(23), 6550-6557. https://doi.org/10.1021/jp102391a