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

Geosciences

Research output: Contribution to journal › Article › peer-review

22 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

ASJC Scopus subject areas

Physical and Theoretical Chemistry

Access to Document

10.1021/jp102391a

Cite this

@article{a9e1b64ab8824f84bc38fedd8b146d7d,

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

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.}",

year = "2010",

month = jun,

day = "17",

doi = "10.1021/jp102391a",

language = "English (US)",

volume = "114",

pages = "6550--6557",

journal = "Journal of Physical Chemistry A",

issn = "1089-5639",

publisher = "American Chemical Society",

number = "23",

}

TY - JOUR

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 - http://www.scopus.com/inward/record.url?scp=77953369893&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=77953369893&partnerID=8YFLogxK

U2 - 10.1021/jp102391a

DO - 10.1021/jp102391a

M3 - Article

C2 - 20499911

AN - SCOPUS:77953369893

VL - 114

SP - 6550

EP - 6557

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

SN - 1089-5639

IS - 23

ER -

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

Abstract

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this