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

doi:10.1021/jp102391a

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 journal › Article › peer-review

30 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 language	English (US)
Pages (from-to)	6550-6557
Number of pages	8
Journal	Journal of Physical Chemistry A
Volume	114
Issue number	23
DOIs	https://doi.org/10.1021/jp102391a
State	Published - Jun 17 2010
Externally published	Yes

ASJC Scopus subject areas

Physical and Theoretical Chemistry

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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.",

author = "Gibbs, \{G. V.\} and Wallace, \{A. F.\} and R. Zallen and Downs, \{R. T.\} and Ross, \{N. L.\} and Cox, \{D. F.\} and Rosso, \{K. M.\}",

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doi = "10.1021/jp102391a",

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T1 - Bond paths and van der waals interactions in orpiment, As2S 3

AU - Gibbs, G. V.

AU - Wallace, A. F.

AU - Zallen, R.

AU - Downs, R. T.

AU - Ross, N. L.

AU - Cox, D. F.

AU - Rosso, K. M.

PY - 2010/6/17

Y1 - 2010/6/17

N2 - 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.

AB - 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.

UR - https://www.scopus.com/pages/publications/77953369893

UR - https://www.scopus.com/pages/publications/77953369893#tab=citedBy

U2 - 10.1021/jp102391a

DO - 10.1021/jp102391a

M3 - Article

C2 - 20499911

AN - SCOPUS:77953369893

SN - 1089-5639

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SP - 6550

EP - 6557

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

IS - 23

ER -

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

Abstract

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