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.
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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 -