Nuclear quadrupole resonance of Mn55, Re185, Re187 in cyclopentadienylmanganese (Rhenium) tricarbonyls

Nesmeyanov, A. N.; Семин, Г. К.; Bryuchova, E. V.; Babushkina, T.A.; Anisimov, K. N.; Kolobova, N. E.; Makarov, Yu. V.

doi:10.1016/s0040-4039(00)76300-3

Cited by 24 publications

(4 citation statements)

References 2 publications

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“…Narrow series I–XXXVI of various complexes taken from the literature are given in Tables . The interpreting of NQR spectra on occasion involves difficulties.…”

Section: Resultsmentioning

confidence: 99%

NQR parameters of complexes and polarizability effect

Egorochkin

Кузнецова

Хамалетдинова

et al. 2012

Magnetic Reson in Chemistry

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The literature data on substituent influence on the nuclear quadrupole resonance frequencies (ν), quadrupole coupling constants (e(2) Qq ⋅ h(- 1) ), and asymmetry parameters (η) for 36 series of the H-complexes, charge-transfer complexes, transition metal complexes and other donor-acceptor complexes have been considered, using the correlation analysis. Generally the ν, e(2) Qq ⋅ h(- 1) , and η values were first established to depend on the inductive, resonance, polarizability, and steric effects of substituents. The presence or otherwise of certain effects as well as relation between their contributions are determined by the type of series. The polarizability effect owes its existence to the appearance of an excess charge on the indicator centre as a result of the complexation. The contribution of this effect ranges up to 75%.

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“…Narrow series I–XXXVI of various complexes taken from the literature are given in Tables . The interpreting of NQR spectra on occasion involves difficulties.…”

Section: Resultsmentioning

confidence: 99%

NQR parameters of complexes and polarizability effect

Egorochkin

Кузнецова

Хамалетдинова

et al. 2012

Magnetic Reson in Chemistry

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“…The present eQq values for CpRe͑CO͒ 3 are about 5% larger than corresponding solid-state values ob-tained using nuclear quadrupole resonance 10 ͑nqr͒ spectroscopy. A detailed study of the electric field gradient tensors in Mn and Re compounds was performed using nqr spectroscopy 10 and a large number of nqr results have been reviewed recently by Brill. 11 The values determined in microwave studies are consistently larger ͑in magnitude͒ than those reported in the solid state nqr studies, but are in reasonable qualitative agreement for both magnitude and sign of the quadrupole coupling constants.…”

Section: Discussionmentioning

confidence: 99%

Microwave measurements of rhenium quadrupole coupling in cyclopentadienyl rhenium tricarbonyl

Drouin

Cassak

Kukolich

1998

The Journal of Chemical Physics

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Fourier transform microwave spectroscopy of HSiBr: Exploring the Si-Br bond through quadrupole hyperfine coupling Determination of structural parameters for the half-sandwich compounds cyclopentadienyl thallium and cyclopentadienyl indium and indium quadrupole coupling for cyclopentadienyl indium using microwave spectroscopy Pure rotational spectrum, quadrupole coupling constants and structure of the dimer of pyrrole Microwave measurements of rotational transitions for cyclopentadienyl rhenium tricarbonyl were performed in the gas phase using pulsed beam Fourier transform microwave spectroscopy. One hundred and sixty five transitions were assigned to two isotopomers of rhenium. The location of the rhenium atom near the center of mass produced significant overlap between the spectra of the two isotopomers. The data were accurately fit using a symmetric top, rigid rotor Hamiltonian that included nuclear quadrupole coupling and centrifugal distortion constants. The rotational constants obtained were B( 187 Re͒ ϭ 724.9794͑2͒, B( 185 Re͒ ϭ 724.9795͑2͒. The quadrupole coupling constants obtained were eQq( 187 Re͒ ϭ 614.464͑12͒ and eQq( 185 Re͒ ϭ 649.273͑14͒ MHz. The successful fitting of the measured spectra to a symmetric top Hamiltonian indicates that the cyclopentadienyl group retains C 5v symmetry, and the Re͑CO͒ 3 group C 3v symmetry in the gas phase. The measured rotational constants are in reasonable agreement with those calculated from the structural parameters obtained in the earlier x-ray work. The Re quadrupole coupling constants obtained are compared with values for other complexes.

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“…Ring substitution in these compounds produces a negligible effect on the EFG at cobalt although a larger range of substituents might produce an observable effect such as that found in substituted CpMn(CO)3 complexes. 22,23 The presence of phenyl groups on the cyclobutadiene ring in 2 improves the stability of these complexes and will not alter the description of the ring because the substituent effect of C6H5 is small.24…”

Section: Delocalized Cyclic Olefin Bondingmentioning

confidence: 99%