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Selected Works of Mark S. Gordon
Article
A New Twist on Pseudorotation
Journal of the American Chemical Society (1991)
  • Theresa L. Windus, North Dakota State University - Main Campus
  • Mark S. Gordon, North Dakota State University - Main Campus
  • Larry W. Burggraf, Air Force Office of Scientific Research
  • Larry P. Davis, HQAFSC/XTR, Andrews Air Force Base
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Abstract
For pentacoordinated structures in a trigonal bipyramidal ar· rangement, Berry1 proposed a "pseudorotation" mechanism whereby two such isomers can interconvert through a tetragonal transition state (TS). This Berry pseudorotation mechanism was demonstrated explicitly for SiH5- by following the MP22/6· 31G(d)3 minimum energy path4 (MEP).
Disciplines
Publication Date
May, 1991
DOI
10.1021/ja00011a063
Publisher Statement
Works produced by employees of the U.S. Government as part of their official duties are not copyrighted within the U.S. The content of this document is not copyrighted.
Citation Information
Theresa L. Windus, Mark S. Gordon, Larry W. Burggraf and Larry P. Davis. "A New Twist on Pseudorotation" Journal of the American Chemical Society Vol. 113 Iss. 11 (1991) p. 4356 - 4357
Available at: http://works.bepress.com/mark_gordon/105/