Is dodecahedral P20 special?

Ching-Han Hu, Mingzuo Shen, Henry F. Schaefer

Research output: Contribution to journalArticle

32 Citations (Scopus)

Abstract

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 (9 s 6 p 4 d 3 f) on each phosphorus atom. At the highest level of theory, dodecahedral P20 is predicted to lie 23 kcal/mol above five separated P4 molecules.

Original languageEnglish
Pages (from-to)29-33
Number of pages5
JournalTheoretica Chimica Acta
Volume88
Issue number1
DOIs
Publication statusPublished - 1994 Mar 1

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Phosphorus
Molecules
phosphorus
molecules
Lasers
Ions
Atoms
lasers
atoms
ions

All Science Journal Classification (ASJC) codes

  • Chiropractics

Cite this

Hu, Ching-Han ; Shen, Mingzuo ; Schaefer, Henry F. / Is dodecahedral P20 special?. In: Theoretica Chimica Acta. 1994 ; Vol. 88, No. 1. pp. 29-33.
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Hu, C-H, Shen, M & Schaefer, HF 1994, 'Is dodecahedral P20 special?', Theoretica Chimica Acta, vol. 88, no. 1, pp. 29-33. https://doi.org/10.1007/BF01113731

Is dodecahedral P20 special? / Hu, Ching-Han; Shen, Mingzuo; Schaefer, Henry F.

In: Theoretica Chimica Acta, Vol. 88, No. 1, 01.03.1994, p. 29-33.

Research output: Contribution to journalArticle

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