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

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

Research output: Contribution to journalArticle

15 Citations (Scopus)

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

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Infrared radiation
Molecular crystals
Van der Waals forces
Electronic density of states
interlayers
interactions
Molecules
density distribution
crystals
arsenic trisulfide
molecules

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

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

Bond paths and van der waals interactions in orpiment, As2S 3. / Gibbs, G. V.; Wallace, A. F.; Zallen, R.; Downs, Robert T; Ross, N. L.; Cox, D. F.; Rosso, K. M.

In: Journal of Physical Chemistry A, Vol. 114, No. 23, 17.06.2010, p. 6550-6557.

Research output: Contribution to journalArticle

Gibbs, GV, Wallace, AF, Zallen, R, Downs, RT, Ross, NL, Cox, DF & Rosso, KM 2010, 'Bond paths and van der waals interactions in orpiment, As2S 3', Journal of Physical Chemistry A, vol. 114, no. 23, pp. 6550-6557. https://doi.org/10.1021/jp102391a
Gibbs GV, Wallace AF, Zallen R, Downs RT, Ross NL, Cox DF et al. Bond paths and van der waals interactions in orpiment, As2S 3. Journal of Physical Chemistry A. 2010 Jun 17;114(23):6550-6557. https://doi.org/10.1021/jp102391a
Gibbs, G. V. ; Wallace, A. F. ; Zallen, R. ; Downs, Robert T ; Ross, N. L. ; Cox, D. F. ; Rosso, K. M. / Bond paths and van der waals interactions in orpiment, As2S 3. In: Journal of Physical Chemistry A. 2010 ; Vol. 114, No. 23. pp. 6550-6557.
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