Bond paths and van der Waals interactions in orpiment, As2S3.
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.
Gibbs
G V
GV
Department of Geosciences, Virginia Tech, Blacksburg, Virginia 24061, USA.
Wallace
A F
AF
Zallen
R
R
Downs
R T
RT
Ross
N L
NL
Cox
D F
DF
Rosso
K M
KM