An evaluation of the rotational barrier about the BN bond of 1-aminoborepins

Arthur J. Ashe; Wolfram Klein; Roger Rousseau

doi:10.1016/0022-328X(94)80025-1

An evaluation of the rotational barrier about the BN bond of 1-aminoborepins

Arthur J. Ashe, Wolfram Klein, Roger Rousseau

Pacific Northwest National Laboratory

Research output: Contribution to journal › Article

14 Citations (Scopus)

Abstract

¹³C NMR spectroscopy has been used to determined the barriers to rotation about the BN bonds of 1-(N-benzyl-N-methylamino)borepin and 1-(N-benzyl-N-methylamino)-4,5-dihydroborepin as 18 and 19.8 kcal mol^-1, respectively. The corresponding rotational barriers of a variety of aminoboranes have been calculated using the semi-empirical AM1 method.

Original language	English
Pages (from-to)	21-23
Number of pages	3
Journal	Journal of Organometallic Chemistry
Volume	468
Issue number	1-2
DOIs	https://doi.org/10.1016/0022-328X(94)80025-1
Publication status	Published - Apr 5 1994

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Keywords

AM1 calculations
Aminoborane
Borepin
Boron
Nitrogen
Nuclear magnetic resonance

ASJC Scopus subject areas

Biochemistry
Physical and Theoretical Chemistry
Organic Chemistry
Inorganic Chemistry
Materials Chemistry

Cite this

Ashe, A. J., Klein, W., & Rousseau, R. (1994). An evaluation of the rotational barrier about the BN bond of 1-aminoborepins. Journal of Organometallic Chemistry, 468(1-2), 21-23. https://doi.org/10.1016/0022-328X(94)80025-1

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AB - 13C NMR spectroscopy has been used to determined the barriers to rotation about the BN bonds of 1-(N-benzyl-N-methylamino)borepin and 1-(N-benzyl-N-methylamino)-4,5-dihydroborepin as 18 and 19.8 kcal mol-1, respectively. The corresponding rotational barriers of a variety of aminoboranes have been calculated using the semi-empirical AM1 method.

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10.1016/0022-328X(94)80025-1