Journal
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 114, Issue 23, Pages 6550-6557Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp102391a
Keywords
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Funding
- National Science Foundation
- U.S. Department of Energy [EaR-0609885, EAR-0609906, DE-FG02-97ER14751, DEaC06-76RLO 1830]
- U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Geoscience Division
- Environmental Molecular Sciences Laboratory (EMSL) at the Pacific Northwest National Laboratory (PNNL)
- U.S. DOE Office of Biological and Environmental Research
- U.S. Department of Energy (DOE) [DE-FG02-97ER14751] Funding Source: U.S. Department of Energy (DOE)
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The calculated electron density distribution for orpiment, As2S3, 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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