TY - JOUR
T1 - The Fourier transform microwave spectrum of YC2 (X ̃ 2 A 1) and its 13C isotopologues
T2 - Chemical insight into metal dicarbides
AU - Halfen, D. T.
AU - Min, J.
AU - Ziurys, L. M.
N1 - Funding Information:
This research is supported by NSF Grant CHE-1057924.
PY - 2013/1/3
Y1 - 2013/1/3
N2 - The Fourier transform microwave spectrum of YC2 (X̃2A1) and its 13C isotopologues has been measured in the 10-57 GHz range, the first FTMW study of a metal dicarbide species. The molecule was created from yttrium vapor and CH4 in argon in a supersonic jet with a discharge-assisted laser ablation source (DALAS). Rotational, fine structure, and Y and 13C hyperfine constants were determined for each isotopologue. The calculated rm(1) structure is r(Y-C) = 2.187(4) Å, r(C-C) = 1.270(4) Å, and θ(C-Y-C) = 33.74(7)°. The hyperfine parameters indicate that the unpaired electron resides principally in an sd hybridized orbital on the yttrium nucleus.
AB - The Fourier transform microwave spectrum of YC2 (X̃2A1) and its 13C isotopologues has been measured in the 10-57 GHz range, the first FTMW study of a metal dicarbide species. The molecule was created from yttrium vapor and CH4 in argon in a supersonic jet with a discharge-assisted laser ablation source (DALAS). Rotational, fine structure, and Y and 13C hyperfine constants were determined for each isotopologue. The calculated rm(1) structure is r(Y-C) = 2.187(4) Å, r(C-C) = 1.270(4) Å, and θ(C-Y-C) = 33.74(7)°. The hyperfine parameters indicate that the unpaired electron resides principally in an sd hybridized orbital on the yttrium nucleus.
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U2 - 10.1016/j.cplett.2012.10.062
DO - 10.1016/j.cplett.2012.10.062
M3 - Article
AN - SCOPUS:84871365423
VL - 555
SP - 31
EP - 37
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
ER -