The microwave spectrum of cyclopentadienyl niobium tetracarbonyl

J. C. Earp; D. S. Margolis; C. Tanjaroon; T. E. Bitterwolf; S. G. Kukolich

doi:10.1006/jmsp.2001.8466

The microwave spectrum of cyclopentadienyl niobium tetracarbonyl

J. C. Earp, D. S. Margolis, C. Tanjaroon, T. E. Bitterwolf, S. G. Kukolich

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

1 Scopus citations

Abstract

Rotational transitions for the symmetric-top transition metal complex C₅H₅Nb(CO)₄ were measured using a Flygare-Balle- type pulsed-beam microwave spectrometer. The spectrum indicates that in the gas phase, this complex is a prolate symmetric top with B = C = 558.842(4) MHz. Transitions were measured in the range 4-12 GHz. The observed splittings due to ⁹³Nb quadrupole coupling were smaller than expected, with eq Q(⁹³Nb) =-1.8(6) MHz. The value D_J = 0.04(2) kHz. No evidence for fluxional behavior was observed. The A rotational constant, calculated from the X-ray data, is A = 670(30) MHz and calculated B and C constants are in agreement with the present microwave values. This appears to be the first measurement of a microwave spectrum and gas-phase quadrupole coupling for a ₉₃Nb organometallic complex.

Original language	English (US)
Pages (from-to)	82-85
Number of pages	4
Journal	Journal of Molecular Spectroscopy
Volume	211
Issue number	1
DOIs	https://doi.org/10.1006/jmsp.2001.8466
State	Published - 2002

ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics
Spectroscopy
Physical and Theoretical Chemistry

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title = "The microwave spectrum of cyclopentadienyl niobium tetracarbonyl",

abstract = "Rotational transitions for the symmetric-top transition metal complex C5H5Nb(CO)4 were measured using a Flygare-Balle- type pulsed-beam microwave spectrometer. The spectrum indicates that in the gas phase, this complex is a prolate symmetric top with B = C = 558.842(4) MHz. Transitions were measured in the range 4-12 GHz. The observed splittings due to 93Nb quadrupole coupling were smaller than expected, with eq Q(93Nb) =-1.8(6) MHz. The value DJ = 0.04(2) kHz. No evidence for fluxional behavior was observed. The A rotational constant, calculated from the X-ray data, is A = 670(30) MHz and calculated B and C constants are in agreement with the present microwave values. This appears to be the first measurement of a microwave spectrum and gas-phase quadrupole coupling for a 93Nb organometallic complex.",

author = "Earp, {J. C.} and Margolis, {D. S.} and C. Tanjaroon and Bitterwolf, {T. E.} and Kukolich, {S. G.}",

note = "Funding Information: The support of the National Science Foundation is gratefully acknowledged.",

year = "2002",

doi = "10.1006/jmsp.2001.8466",

language = "English (US)",

volume = "211",

pages = "82--85",

journal = "Journal of Molecular Spectroscopy",

issn = "0022-2852",

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TY - JOUR

T1 - The microwave spectrum of cyclopentadienyl niobium tetracarbonyl

AU - Earp, J. C.

AU - Margolis, D. S.

AU - Tanjaroon, C.

AU - Bitterwolf, T. E.

AU - Kukolich, S. G.

N1 - Funding Information: The support of the National Science Foundation is gratefully acknowledged.

PY - 2002

Y1 - 2002

N2 - Rotational transitions for the symmetric-top transition metal complex C5H5Nb(CO)4 were measured using a Flygare-Balle- type pulsed-beam microwave spectrometer. The spectrum indicates that in the gas phase, this complex is a prolate symmetric top with B = C = 558.842(4) MHz. Transitions were measured in the range 4-12 GHz. The observed splittings due to 93Nb quadrupole coupling were smaller than expected, with eq Q(93Nb) =-1.8(6) MHz. The value DJ = 0.04(2) kHz. No evidence for fluxional behavior was observed. The A rotational constant, calculated from the X-ray data, is A = 670(30) MHz and calculated B and C constants are in agreement with the present microwave values. This appears to be the first measurement of a microwave spectrum and gas-phase quadrupole coupling for a 93Nb organometallic complex.

AB - Rotational transitions for the symmetric-top transition metal complex C5H5Nb(CO)4 were measured using a Flygare-Balle- type pulsed-beam microwave spectrometer. The spectrum indicates that in the gas phase, this complex is a prolate symmetric top with B = C = 558.842(4) MHz. Transitions were measured in the range 4-12 GHz. The observed splittings due to 93Nb quadrupole coupling were smaller than expected, with eq Q(93Nb) =-1.8(6) MHz. The value DJ = 0.04(2) kHz. No evidence for fluxional behavior was observed. The A rotational constant, calculated from the X-ray data, is A = 670(30) MHz and calculated B and C constants are in agreement with the present microwave values. This appears to be the first measurement of a microwave spectrum and gas-phase quadrupole coupling for a 93Nb organometallic complex.

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The microwave spectrum of cyclopentadienyl niobium tetracarbonyl

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