C{sub 2}H{sub 4}B{sub 2}N{sub 2}: Ab initio prediction of structure and properties of ring and chain compounds
Journal Article
·
· Journal of Physical Chemistry
- Univ. of Florida, Gainesville, FL (United States)
Acyclic Z- and E-isomers and the isomer ring of C{sub 2}H{sub 4}B{sub 2}N{sub 2} have remarkable thermodynamic stability with respect to cycloborane, borazirene, and H{sub 2}BCN, with the cyclic isomer being the most stable. The coupled cluster approach is more accurate than MBPT(2). 38 refs., 4 figs., 7 tabs.
- Sponsoring Organization:
- USDOE
- OSTI ID:
- 437441
- Journal Information:
- Journal of Physical Chemistry, Vol. 98, Issue 35; Other Information: PBD: 1 Sep 1994
- Country of Publication:
- United States
- Language:
- English
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