Bond Paths and van der Waals Interactions in Orpiment, As2S3 | Zendy

G. V. Gibbs | Zendy; A. F. Wallace | Zendy; R. Zallen | Zendy; Robert T. Downs | Zendy; Nancy L. Ross | Zendy; David F. Cox | Zendy; K. M. Rosso | Zendy

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Bond Paths and van der Waals Interactions in Orpiment, As₂S₃

Author(s) -

G. V. Gibbs,

A. F. Wallace,

R. Zallen,

Robert T. Downs,

Nancy L. Ross,

David F. Cox,

K. M. Rosso

Publication year - 2010

Publication title -

the journal of physical chemistry a

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.756

H-Index - 235

eISSN - 1520-5215

pISSN - 1089-5639

DOI - 10.1021/jp102391a

Subject(s) - van der waals force , raman spectroscopy , van der waals strain , infrared , molecule , bond length , physics , van der waals radius , materials science , chemistry , quantum mechanics

The calculated electron density distribution for orpiment, As(2)S(3), reveals that As-S, S-S, and As-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.

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