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

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

Research output: Contribution to journalArticle

5 Citations (Scopus)

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 languageEnglish (US)
Pages (from-to)7891-7900
Number of pages10
JournalThe Journal of Chemical Physics
Volume113
Issue number18
DOIs
StatePublished - Nov 8 2000

Fingerprint

Microwave spectrometers
Osmium Tetroxide
microwave spectrometers
osmium
microwave spectra
rotational spectra
structural analysis
Structural analysis
Molecular structure
Density functional theory
molecular structure
Microwaves
density functional theory
methyltrioxorhenium VII

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Microwave spectra, density functional theory calculations and molecular structure of acetylenemethyldioxorhenium. / Kukolich, Stephen G; Drouin, B. J.; Indris, O.; Dannemiller, J. J.; Zoller, J. P.; Herrmann, W. A.

In: The Journal of Chemical Physics, Vol. 113, No. 18, 08.11.2000, p. 7891-7900.

Research output: Contribution to journalArticle

Kukolich, Stephen G ; Drouin, B. J. ; Indris, O. ; Dannemiller, J. J. ; Zoller, J. P. ; Herrmann, W. A. / Microwave spectra, density functional theory calculations and molecular structure of acetylenemethyldioxorhenium. In: The Journal of Chemical Physics. 2000 ; Vol. 113, No. 18. pp. 7891-7900.
@article{01af6170342b4ceb81a684ccbf275618,
title = "Microwave spectra, density functional theory calculations and molecular structure of acetylenemethyldioxorhenium",
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, {Stephen G} and Drouin, {B. J.} and O. Indris and Dannemiller, {J. J.} and Zoller, {J. P.} and Herrmann, {W. A.}",
year = "2000",
month = "11",
day = "8",
doi = "10.1063/1.1315611",
language = "English (US)",
volume = "113",
pages = "7891--7900",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "American Institute of Physics Publising LLC",
number = "18",

}

TY - JOUR

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

AU - Kukolich, Stephen 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.

UR - http://www.scopus.com/inward/record.url?scp=0034324471&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0034324471&partnerID=8YFLogxK

U2 - 10.1063/1.1315611

DO - 10.1063/1.1315611

M3 - Article

AN - SCOPUS:0034324471

VL - 113

SP - 7891

EP - 7900

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 18

ER -