Anharmonicity in the ring stretching modes of diborane

Journal of Chemical Physics

Volumn 108, Issue 22, 1998, Pages 9218-9220

  Stanton, John F ^a   Gauss, Jürgen ^b  

^a UNIVERSITY OF TEXAS AT AUSTIN   (United States)

^b JOHANNES GUTENBERG UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001264076     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.476417     Document Type: Article

References (24)

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3. T. P. Fehlner, in Boron Hydride Chemistry, edited E. L. Muetterties (Academic, New York, 1975), pp. 175-196; R. L. Hughes, I. C. Smith, and E. W. Lawless, in Production of the Boranes and Related Research, edited by R. T. Holzmann (Academic, New York, 1967), pp. 90-115.
4. T. P. Fehlner, in Boron Hydride Chemistry, edited E. L. Muetterties (Academic, New York, 1975), pp. 175-196; R. L. Hughes, I. C. Smith, and E. W. Lawless, in Production of the Boranes and Related Research, edited by R. T. Holzmann (Academic, New York, 1967), pp. 90-115.
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8. 6 isotopomer of diborane.
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15. The TZ2P basis set used in this work is fully described in J. F. Stanton, J. Gauss, R. J. Bartlett, T. Helgaker, P. Jørgensen, H. J. A. Jensen, and P. R. Taylor, J. Chem. Phys. 97, 1211 (1992).
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17. 17, which is very clearly not perturbed. Hence, the essential comparison is free from ambiguity.
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21. tBB)=118.96 (118.83), where the latter set of results are listed in parentheses. Distances are in angstroms and angles are in degrees.
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