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The bitetrahedral molecule C8H6: The shortest possible CC bond distance for a saturated hydrocarbon?

✍ Scribed by Yaoming Xie; Henry F. Schaefer III

Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
201 KB
Volume
161
Category
Article
ISSN
0009-2614

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✦ Synopsis

Bitetrahedral has recently been suggested as a candidate for the molecule incorporating the shortest possible carbon-carbon single bond in a completely saturated hydrocarbon system. This suggestion is pursued using ab initio quantum mechanical methods with basis sets as large as double-zeta plus polarization (DZ+P). The structure of a larger molecule, a coupled bicyclo [ l.l.O]butane isomer of C,sH1,, is also completely optimized and displays a significantly longer central C-C distance.

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