Measurements of microwave spectra and structural parameters for cyclopentadienylchromium dicarbonyl nitrosyl

Stephen G Kukolich, R. T. McKay, S. M. Breckenridge, L. D. Flores, G. E. Morris, S. M. Sickafoose, D. L. Morrison

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

Microwave rotational spectra were measured for eight isotopomers of η5-C5H5Cr(CO)2NO using a pulsed-beam, Fourier transform spectrometer. The normal isotopomer is a near-symmetric rotor with A = 1001.693(2), B = 797.2724(6), and C = 797.0143(6) MHz. This complex has a "piano-stool" type structure, with one symmetry plane. The accidental, near-symmetric top inertia tensor gives a clear indication of different bonding and structural parameters for the nitrosyl group and the carbonyl groups, since 3-fold symmetry for the nitrosyl and carbonyl groups would result in a much larger value for B-C. The nitrosyl and carbonyl groups form different angles with the z-axis which passes through the Cr atom and center of C5H5. The C5H5-Cr-NO angle is 128°, and the C5H5-Cr-CO angle is 120°. The distance from the Cr atom to the C5H5 ring is z (Cr-C5H5) = 1.86 Å. The a-axis forms an angle of 4° with the z-axis. Other structural parameters are obtained and discussed. The C5H5 ring is oriented so that two of the cyclopentadienyl carbon atoms are staggered with respect to the NO nitrogen atom. The 14N quadrupole coupling values are eQqaa = 0.312(2) and eQqbb = -0.448(2) MHz.

Original languageEnglish (US)
Pages (from-to)4182-4186
Number of pages5
JournalInorganic Chemistry
Volume34
Issue number16
StatePublished - 1995

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microwave spectra
Microwaves
Atoms
Carbon Monoxide
atoms
rings
rotational spectra
symmetry
inertia
nitrogen atoms
rotors
Tensors
Spectrometers
Fourier transforms
indication
Nitrogen
Carbon
Rotors
quadrupoles
tensors

ASJC Scopus subject areas

  • Inorganic Chemistry

Cite this

Kukolich, S. G., McKay, R. T., Breckenridge, S. M., Flores, L. D., Morris, G. E., Sickafoose, S. M., & Morrison, D. L. (1995). Measurements of microwave spectra and structural parameters for cyclopentadienylchromium dicarbonyl nitrosyl. Inorganic Chemistry, 34(16), 4182-4186.

Measurements of microwave spectra and structural parameters for cyclopentadienylchromium dicarbonyl nitrosyl. / Kukolich, Stephen G; McKay, R. T.; Breckenridge, S. M.; Flores, L. D.; Morris, G. E.; Sickafoose, S. M.; Morrison, D. L.

In: Inorganic Chemistry, Vol. 34, No. 16, 1995, p. 4182-4186.

Research output: Contribution to journalArticle

Kukolich, SG, McKay, RT, Breckenridge, SM, Flores, LD, Morris, GE, Sickafoose, SM & Morrison, DL 1995, 'Measurements of microwave spectra and structural parameters for cyclopentadienylchromium dicarbonyl nitrosyl', Inorganic Chemistry, vol. 34, no. 16, pp. 4182-4186.
Kukolich SG, McKay RT, Breckenridge SM, Flores LD, Morris GE, Sickafoose SM et al. Measurements of microwave spectra and structural parameters for cyclopentadienylchromium dicarbonyl nitrosyl. Inorganic Chemistry. 1995;34(16):4182-4186.
Kukolich, Stephen G ; McKay, R. T. ; Breckenridge, S. M. ; Flores, L. D. ; Morris, G. E. ; Sickafoose, S. M. ; Morrison, D. L. / Measurements of microwave spectra and structural parameters for cyclopentadienylchromium dicarbonyl nitrosyl. In: Inorganic Chemistry. 1995 ; Vol. 34, No. 16. pp. 4182-4186.
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abstract = "Microwave rotational spectra were measured for eight isotopomers of η5-C5H5Cr(CO)2NO using a pulsed-beam, Fourier transform spectrometer. The normal isotopomer is a near-symmetric rotor with A = 1001.693(2), B = 797.2724(6), and C = 797.0143(6) MHz. This complex has a {"}piano-stool{"} type structure, with one symmetry plane. The accidental, near-symmetric top inertia tensor gives a clear indication of different bonding and structural parameters for the nitrosyl group and the carbonyl groups, since 3-fold symmetry for the nitrosyl and carbonyl groups would result in a much larger value for B-C. The nitrosyl and carbonyl groups form different angles with the z-axis which passes through the Cr atom and center of C5H5. The C5H5-Cr-NO angle is 128°, and the C5H5-Cr-CO angle is 120°. The distance from the Cr atom to the C5H5 ring is z (Cr-C5H5) = 1.86 {\AA}. The a-axis forms an angle of 4° with the z-axis. Other structural parameters are obtained and discussed. The C5H5 ring is oriented so that two of the cyclopentadienyl carbon atoms are staggered with respect to the NO nitrogen atom. The 14N quadrupole coupling values are eQqaa = 0.312(2) and eQqbb = -0.448(2) MHz.",
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AU - McKay, R. T.

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AU - Flores, L. D.

AU - Morris, G. E.

AU - Sickafoose, S. M.

AU - Morrison, D. L.

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N2 - Microwave rotational spectra were measured for eight isotopomers of η5-C5H5Cr(CO)2NO using a pulsed-beam, Fourier transform spectrometer. The normal isotopomer is a near-symmetric rotor with A = 1001.693(2), B = 797.2724(6), and C = 797.0143(6) MHz. This complex has a "piano-stool" type structure, with one symmetry plane. The accidental, near-symmetric top inertia tensor gives a clear indication of different bonding and structural parameters for the nitrosyl group and the carbonyl groups, since 3-fold symmetry for the nitrosyl and carbonyl groups would result in a much larger value for B-C. The nitrosyl and carbonyl groups form different angles with the z-axis which passes through the Cr atom and center of C5H5. The C5H5-Cr-NO angle is 128°, and the C5H5-Cr-CO angle is 120°. The distance from the Cr atom to the C5H5 ring is z (Cr-C5H5) = 1.86 Å. The a-axis forms an angle of 4° with the z-axis. Other structural parameters are obtained and discussed. The C5H5 ring is oriented so that two of the cyclopentadienyl carbon atoms are staggered with respect to the NO nitrogen atom. The 14N quadrupole coupling values are eQqaa = 0.312(2) and eQqbb = -0.448(2) MHz.

AB - Microwave rotational spectra were measured for eight isotopomers of η5-C5H5Cr(CO)2NO using a pulsed-beam, Fourier transform spectrometer. The normal isotopomer is a near-symmetric rotor with A = 1001.693(2), B = 797.2724(6), and C = 797.0143(6) MHz. This complex has a "piano-stool" type structure, with one symmetry plane. The accidental, near-symmetric top inertia tensor gives a clear indication of different bonding and structural parameters for the nitrosyl group and the carbonyl groups, since 3-fold symmetry for the nitrosyl and carbonyl groups would result in a much larger value for B-C. The nitrosyl and carbonyl groups form different angles with the z-axis which passes through the Cr atom and center of C5H5. The C5H5-Cr-NO angle is 128°, and the C5H5-Cr-CO angle is 120°. The distance from the Cr atom to the C5H5 ring is z (Cr-C5H5) = 1.86 Å. The a-axis forms an angle of 4° with the z-axis. Other structural parameters are obtained and discussed. The C5H5 ring is oriented so that two of the cyclopentadienyl carbon atoms are staggered with respect to the NO nitrogen atom. The 14N quadrupole coupling values are eQqaa = 0.312(2) and eQqbb = -0.448(2) MHz.

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