ISSN:
1432-2234
Keywords:
Phosphorus clusters
;
P20
;
Dodecahedra
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Summary The laboratory study of phosphorus clusters by laser-based mass spectrometric methods indicates, tentatively, that P + 21 may be special. A plausible interpretation might place a P+ ion interior to a dodecahedral P20 molecule.Ab initio quantum mechanical methods have been applied to the P20 molecule using contracted gaussian basis sets as large as (9s 6p 4d 3f) on each phosphorus atom. At the highest level of theory, dodecahedral P20 is predicted to lie 23 kcal/mol above five separated P4 molecules.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01113731
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