title: The vibrational spectrum of fanlike ScC(3) in solid Ar.
abstract: Fourier transform infrared spectra of fanlike (C(2v)) ScC(3) have been obtained by trapping the vapor from the Nd:YAG (yttrium aluminum garnet) laser ablation of (13)C-enriched graphite and Sc rods in solid Ar at approximately 10 K. Three vibrational fundamentals, the nu(5)(b(2))=1478.0 cm(-1) asymmetric carbon stretch, the nu(3)(a(1))=557.0 cm(-1) symmetric metal-carbon stretch, and the nu(1)(a(1))=1190.7 cm(-1) symmetric carbon stretch have been observed for the first time. The measured isotopic spectra are in good agreement with DFT-B3LYP/6-311G(3df,3pd) simulated spectra and indicate a (2)A(2) ground state rather than (4)B(1) as suggested by other theoretical calculations. The frequency of the nu(3)(a(1)) fundamental is consistent with a frequency of 560+/-30 cm(-1) reported in a photoelectron spectroscopy investigation of ScC(3).
authors.affiliation: Department of Physics and Astronomy, Texas Christian University, Fort Worth, Texas 76129, USA.
authors.forename: R E
authors.initials: RE
authors.lastname: Kinzer
authors.forename: C M L
authors.initials: CM
authors.lastname: Rittby
authors.forename: W R M
authors.initials: WR
authors.lastname: Graham