ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
Calculations on different geometries of O3, S3, O4, and S4 clusters show that oxygen and sulfur present quite different behavior as concerns cluster formation. O3 has a C2v, symmetry while S3 is equilateral D3h. O4 cannot form a structure with near-equal bond lengths while S3 can form several such structures, of which the ring structures are more stable than the chain or branched structures. A multibody analysis of the cluster energies gives a cogent rationale of these differences, showing for instance that large three-body nonadditive repulsions make O4 unstable, while three-body effects turn out to be attractive for S4.
Additional Material:
7 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560260410
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