Microwave spectrum and structural parameters of iron tricarbonyl 1,3-cyclohexadiene

G. L. Henderson; M. A. Roehrig; P. Wikrent; S. G. Kukolich

doi:10.1021/j100200a018

Microwave spectrum and structural parameters of iron tricarbonyl 1,3-cyclohexadiene

G. L. Henderson
, M. A. Roehrig
, P. Wikrent
, S. G. Kukolich

Chemistry & Biochemistry - Sci

Research output: Contribution to journal › Article › peer-review

12 Scopus citations

Abstract

A total of 90 a- and c-dipole rotational transitions were measured in the 5-14-GHz range for ⁵⁶Fe(CO)₃(1,3-cyclohexadiene) and ⁵⁴Fe(CO)₃(1,3-cyclohexadiene), using a Flygare-Balle type pulsed-beam Fourier transform spectrometer. Spectroscopic constants A, B, C, Δ_J, Δ_JK, δ_J, and δ_K were obtained for both isotopomers using a Watson type distortable rotor Hamiltonian. The rotational constants obtained for ⁵⁶Fe(CO)₃(1,3-cyclohexadiene) are A = 960.0298 (4), B = 681.8343 (2), and C = 659.3087 (2) MHz. Six rotational constants were used to determine three structural parameters describing the relative orientation of the cyclohexadiene and carbonyl ligands.

Original language	English (US)
Pages (from-to)	8303-8306
Number of pages	4
Journal	Journal of physical chemistry
Volume	96
Issue number	21
DOIs	https://doi.org/10.1021/j100200a018
State	Published - 1992

ASJC Scopus subject areas

General Engineering
Physical and Theoretical Chemistry

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10.1021/j100200a018

Cite this

@article{16fd3229b4ae485ea193d843d6c66811,

title = "Microwave spectrum and structural parameters of iron tricarbonyl 1,3-cyclohexadiene",

abstract = "A total of 90 a- and c-dipole rotational transitions were measured in the 5-14-GHz range for 56Fe(CO)3(1,3-cyclohexadiene) and 54Fe(CO)3(1,3-cyclohexadiene), using a Flygare-Balle type pulsed-beam Fourier transform spectrometer. Spectroscopic constants A, B, C, ΔJ, ΔJK, δJ, and δK were obtained for both isotopomers using a Watson type distortable rotor Hamiltonian. The rotational constants obtained for 56Fe(CO)3(1,3-cyclohexadiene) are A = 960.0298 (4), B = 681.8343 (2), and C = 659.3087 (2) MHz. Six rotational constants were used to determine three structural parameters describing the relative orientation of the cyclohexadiene and carbonyl ligands.",

author = "Henderson, \{G. L.\} and Roehrig, \{M. A.\} and P. Wikrent and Kukolich, \{S. G.\}",

year = "1992",

doi = "10.1021/j100200a018",

language = "English (US)",

volume = "96",

pages = "8303--8306",

journal = "Journal of physical chemistry",

issn = "0022-3654",

publisher = "American Chemical Society",

number = "21",

}

TY - JOUR

T1 - Microwave spectrum and structural parameters of iron tricarbonyl 1,3-cyclohexadiene

AU - Henderson, G. L.

AU - Roehrig, M. A.

AU - Wikrent, P.

AU - Kukolich, S. G.

PY - 1992

Y1 - 1992

N2 - A total of 90 a- and c-dipole rotational transitions were measured in the 5-14-GHz range for 56Fe(CO)3(1,3-cyclohexadiene) and 54Fe(CO)3(1,3-cyclohexadiene), using a Flygare-Balle type pulsed-beam Fourier transform spectrometer. Spectroscopic constants A, B, C, ΔJ, ΔJK, δJ, and δK were obtained for both isotopomers using a Watson type distortable rotor Hamiltonian. The rotational constants obtained for 56Fe(CO)3(1,3-cyclohexadiene) are A = 960.0298 (4), B = 681.8343 (2), and C = 659.3087 (2) MHz. Six rotational constants were used to determine three structural parameters describing the relative orientation of the cyclohexadiene and carbonyl ligands.

AB - A total of 90 a- and c-dipole rotational transitions were measured in the 5-14-GHz range for 56Fe(CO)3(1,3-cyclohexadiene) and 54Fe(CO)3(1,3-cyclohexadiene), using a Flygare-Balle type pulsed-beam Fourier transform spectrometer. Spectroscopic constants A, B, C, ΔJ, ΔJK, δJ, and δK were obtained for both isotopomers using a Watson type distortable rotor Hamiltonian. The rotational constants obtained for 56Fe(CO)3(1,3-cyclohexadiene) are A = 960.0298 (4), B = 681.8343 (2), and C = 659.3087 (2) MHz. Six rotational constants were used to determine three structural parameters describing the relative orientation of the cyclohexadiene and carbonyl ligands.

UR - https://www.scopus.com/pages/publications/0000766863

UR - https://www.scopus.com/pages/publications/0000766863#tab=citedBy

U2 - 10.1021/j100200a018

DO - 10.1021/j100200a018

M3 - Article

AN - SCOPUS:0000766863

SN - 0022-3654

VL - 96

SP - 8303

EP - 8306

JO - Journal of physical chemistry

JF - Journal of physical chemistry

IS - 21

ER -

Microwave spectrum and structural parameters of iron tricarbonyl 1,3-cyclohexadiene

Abstract

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