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Ab initio characterization of a triborane(9) isomer with a pentacoordinated central boron atom

Duke, B.J., Gauld, J.W. and Schaefer, H.F. (1995). Ab initio characterization of a triborane(9) isomer with a pentacoordinated central boron atom. Journal of the American Chemical Society,117(29):7753-7755.

Document type: Journal Article
Citation counts: Scopus Citation Count Cited 3 times in Scopus Article | Citations

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Title Ab initio characterization of a triborane(9) isomer with a pentacoordinated central boron atom
Author Duke, B.J.
Gauld, J.W.
Schaefer, H.F.
Journal Name Journal of the American Chemical Society
Publication Date 1995
Volume Number 117
Issue Number 29
ISSN 0002-7863   (check CDU catalogue  open catalogue search in new window)
Scopus ID 2-s2.0-10044224992
Start Page 7753
End Page 7755
Total Pages 3
Place of Publication United States of America
Publisher American Chemical Society
Field of Research 250000 Chemical Sciences
Abstract A new isomer of triborane(9) has been characterised by ab initio molecular orbital theory at both the MP2 level and the CISD level. This isomer has C2 symmetry with a pentacoordinated central boron atom, and it may play an important role in the mechanism of pyrolysis of diborane(6).
DOI http://dx.doi.org/10.1021/ja00134a020   (check subscription with CDU E-Gateway service for CDU Staff and Students  check subscription with CDU E-Gateway in new window)
 
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Created: Fri, 29 Aug 2014, 20:20:45 CST by Anthony Hornby