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 › peer-review

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

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

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title = "An evaluation of the rotational barrier about the BN bond of 1-aminoborepins",

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.",

keywords = "AM1 calculations, Aminoborane, Borepin, Boron, Nitrogen, Nuclear magnetic resonance",

author = "Ashe, {Arthur J.} and Wolfram Klein and Roger Rousseau",

note = "Funding Information: We are grateful to the donors of the Petroleum ResearchF und administeredb y the American Chemical Society for partial support of this work. W.K. thanks the Deutsche Forschungsgemeinschaffot r a post-doctoralf ellowship.",

year = "1994",

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T1 - An evaluation of the rotational barrier about the BN bond of 1-aminoborepins

AU - Ashe, Arthur J.

AU - Klein, Wolfram

AU - Rousseau, Roger

N1 - Funding Information: We are grateful to the donors of the Petroleum ResearchF und administeredb y the American Chemical Society for partial support of this work. W.K. thanks the Deutsche Forschungsgemeinschaffot r a post-doctoralf ellowship.

PY - 1994/4/5

Y1 - 1994/4/5

N2 - 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.

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.

KW - AM1 calculations

KW - Aminoborane

KW - Borepin

KW - Boron

KW - Nitrogen

KW - Nuclear magnetic resonance

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