Determination of structural parameters for the half-sandwich compounds cyclopentadienyl thallium and cyclopentadienyl indium and indium quadrupole coupling for cyclopentadienyl indium using microwave spectroscopy
Drouin, B. J. ; Cassak, P. A. ; Briggs, P. M. ; Kukolich, S. G.
College Park, Md. : American Institute of Physics (AIP)
Published 1997
College Park, Md. : American Institute of Physics (AIP)
Published 1997
ISSN: |
1089-7690
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Source: |
AIP Digital Archive
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Topics: |
Physics
Chemistry and Pharmacology
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Notes: |
Microwave rotational transitions for J′←J=2←1 and 3←2 were measured in the 7–11 GHz range for three isotopomers of (C5H5)In. Similar transitions (up to J′←J=5←4) for eight isotopomers of (C5H5)Tl were measured in the 5–15 GHz range. The rotational constants of the most abundant isotopomers are B(Cp 203Tl)=1467.9730(11) MHz, B(Cp 205Tl) =1465.0723(14) MHz, B(Cp 113In)=1809.9785(30) MHz, and B(Cp 115In)=1800.8199(18) MHz (Cp=C5H5). The quadrupole coupling strengths for the indium compounds are eQq(Cp 113In)=−118.397(69) MHz and eQq(Cp 115In)=−119.981(31) MHz. Spectra for single-substitution 13C isotopomers were seen in natural abundance. Deuterated samples of CpTl were prepared to obtain spectra for deuterium-substituted isotopomers. Analysis of the spectra allowed the determination of the following structural parameters; for (C5H5)Tl, r(Tl–C5)=2.413(3) Å, r(C–C)=1.421(10) Å, r(C–H)=1.082(9) Å and (angle)C5–H=0.9(2)° (C5 represents the planar, 5-carbon ring of C5H5), and for (C5H5)In, r(In–C5)=2.314(4) Å and r(C–C)=1.426(6) Å. A Kraitchman analysis was performed on the available isotopomers for comparison of r0 and rs values. Both structural analyses indicate that the hydrogen atoms in (C5H5)Tl are bent slightly out of the carbon plane away from the coordinated metal atom. © 1997 American Institute of Physics.
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Type of Medium: |
Electronic Resource
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