Abstract
Rotational transitions in the 6-18 GHz range were measured for cyclopentadienyl-cobalt dicarbonyl (CpCo(CO)2) using a Flygare-Balle type pulsed beam spectrometer. Splitting and additional transitions due to hindered internal rotation and cobalt quadrupole coupling were observed in the spectrum. Analysis of the spectrum provided the rotational constants A=1625(20), B=1257(2) and C=876(2) MHz. This molecule appears to have a tenfold barrier to rotation of the -Co(CO)2 fragment about the C5 axis of the Cp group. The potential energy barrier to internal rotation is V10=0.82(20) THz (0.3 kJ/mol). The value of the OCCoCO angle was found to be θ=98(5)°. This and other structure parameters will be compared with electron diffraction results. The 59Co quadrupole coupling components are eQqaa=12(4) MHz and eQqbb=132(4) MHz.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 84-88 |
| Number of pages | 5 |
| Journal | Chemical Physics Letters |
| Volume | 183 |
| Issue number | 1-2 |
| DOIs | |
| State | Published - Aug 23 1991 |
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ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Spectroscopy
- Condensed Matter Physics
- Atomic and Molecular Physics, and Optics
- Surfaces and Interfaces
Cite this
Microwave measurements of the rotational spectrum for cyclopentadienyl-cobalt dicarbonyl. / Roehrig, M. A.; Chen, Qi Qi; Haubrich, S. T.; Kukolich, Stephen G.
In: Chemical Physics Letters, Vol. 183, No. 1-2, 23.08.1991, p. 84-88.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Microwave measurements of the rotational spectrum for cyclopentadienyl-cobalt dicarbonyl
AU - Roehrig, M. A.
AU - Chen, Qi Qi
AU - Haubrich, S. T.
AU - Kukolich, Stephen G
PY - 1991/8/23
Y1 - 1991/8/23
N2 - Rotational transitions in the 6-18 GHz range were measured for cyclopentadienyl-cobalt dicarbonyl (CpCo(CO)2) using a Flygare-Balle type pulsed beam spectrometer. Splitting and additional transitions due to hindered internal rotation and cobalt quadrupole coupling were observed in the spectrum. Analysis of the spectrum provided the rotational constants A=1625(20), B=1257(2) and C=876(2) MHz. This molecule appears to have a tenfold barrier to rotation of the -Co(CO)2 fragment about the C5 axis of the Cp group. The potential energy barrier to internal rotation is V10=0.82(20) THz (0.3 kJ/mol). The value of the OCCoCO angle was found to be θ=98(5)°. This and other structure parameters will be compared with electron diffraction results. The 59Co quadrupole coupling components are eQqaa=12(4) MHz and eQqbb=132(4) MHz.
AB - Rotational transitions in the 6-18 GHz range were measured for cyclopentadienyl-cobalt dicarbonyl (CpCo(CO)2) using a Flygare-Balle type pulsed beam spectrometer. Splitting and additional transitions due to hindered internal rotation and cobalt quadrupole coupling were observed in the spectrum. Analysis of the spectrum provided the rotational constants A=1625(20), B=1257(2) and C=876(2) MHz. This molecule appears to have a tenfold barrier to rotation of the -Co(CO)2 fragment about the C5 axis of the Cp group. The potential energy barrier to internal rotation is V10=0.82(20) THz (0.3 kJ/mol). The value of the OCCoCO angle was found to be θ=98(5)°. This and other structure parameters will be compared with electron diffraction results. The 59Co quadrupole coupling components are eQqaa=12(4) MHz and eQqbb=132(4) MHz.
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U2 - 10.1016/0009-2614(91)85103-4
DO - 10.1016/0009-2614(91)85103-4
M3 - Article
AN - SCOPUS:0002848626
VL - 183
SP - 84
EP - 88
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 1-2
ER -