Microwave spectra, density functional theory calculations and molecular structure of acetylenemethyldioxorhenium

S. G. Kukolich; B. J. Drouin; O. Indris; J. J. Dannemiller; J. P. Zoller; W. A. Herrmann

doi:10.1063/1.1315611

Microwave spectra, density functional theory calculations and molecular structure of acetylenemethyldioxorhenium

S. G. Kukolich, B. J. Drouin, O. Indris, J. J. Dannemiller, J. P. Zoller, W. A. Herrmann

Chemistry and Biochemistry

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Abstract

The rotational spectra of 14 isotopomers was used to investigate the molecular structure of acetylenemethyldioxorhenium. The catalyzed reactions of methyltrioxorhenium and osmium tetroxide related the complex to its intermediates. Microwave spectrometers of the Flygare-Balle type were used for the structural analysis. The rotational constants were found in correlation with the density functional theory.

Original language	English (US)
Pages (from-to)	7891-7900
Number of pages	10
Journal	Journal of Chemical Physics
Volume	113
Issue number	18
DOIs	https://doi.org/10.1063/1.1315611
State	Published - Nov 8 2000

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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abstract = "The rotational spectra of 14 isotopomers was used to investigate the molecular structure of acetylenemethyldioxorhenium. The catalyzed reactions of methyltrioxorhenium and osmium tetroxide related the complex to its intermediates. Microwave spectrometers of the Flygare-Balle type were used for the structural analysis. The rotational constants were found in correlation with the density functional theory.",

author = "Kukolich, {S. G.} and Drouin, {B. J.} and O. Indris and Dannemiller, {J. J.} and Zoller, {J. P.} and Herrmann, {W. A.}",

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T1 - Microwave spectra, density functional theory calculations and molecular structure of acetylenemethyldioxorhenium

AU - Kukolich, S. G.

AU - Drouin, B. J.

AU - Indris, O.

AU - Dannemiller, J. J.

AU - Zoller, J. P.

AU - Herrmann, W. A.

PY - 2000/11/8

Y1 - 2000/11/8

N2 - The rotational spectra of 14 isotopomers was used to investigate the molecular structure of acetylenemethyldioxorhenium. The catalyzed reactions of methyltrioxorhenium and osmium tetroxide related the complex to its intermediates. Microwave spectrometers of the Flygare-Balle type were used for the structural analysis. The rotational constants were found in correlation with the density functional theory.

AB - The rotational spectra of 14 isotopomers was used to investigate the molecular structure of acetylenemethyldioxorhenium. The catalyzed reactions of methyltrioxorhenium and osmium tetroxide related the complex to its intermediates. Microwave spectrometers of the Flygare-Balle type were used for the structural analysis. The rotational constants were found in correlation with the density functional theory.

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JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 18

ER -

Microwave spectra, density functional theory calculations and molecular structure of acetylenemethyldioxorhenium

Abstract

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