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Theoretical analysis of the smallest carbon cluster containing a planar tetracoordinate carbon

Authors :
Merino, Gabriel
Mendez-Rojas, Miguel
Beltran, Hiram I.
Corminboeuf, Clemence
Heine, Thomas
Velta, Alberto
Source :
Journal of the American Chemical Society. Dec 15, 2004, Vol. 126 Issue 49, 16160-16169
Publication Year :
2004

Abstract

A series of molecules, based on the smallest carbon cluster with one planar tetracoordinate carbon atom, C5(super 2-), are presented. Several global reactivity indexes, molecular scalar fields, and magnetic responses were calculated to know which electronic factors contribute to their stabilization.

Details

Language :
English
ISSN :
00027863
Volume :
126
Issue :
49
Database :
Gale General OneFile
Journal :
Journal of the American Chemical Society
Publication Type :
Academic Journal
Accession number :
edsgcl.129134449