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Ab Initio Characterization of a Triborane(9) Isomer with a Pentacoordinated Central Boron Atom

Duke, Brian 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, Brian 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