title: Fourier transform infrared isotopic study of ZnC3: identification of the ν1(a') mode.
abstract: An isomer of ZnC(3) with bent structure in its (1)A(') electronic state has been detected in the products from the dual laser ablation of carbon and zinc rods that were trapped in solid Ar at ~12 K. Measurements of (13)C isotopic shifts have enabled the identification of the ν(1)(a(')) asymmetric carbon stretching fundamental at 1858.9 cm(-1). The experimental results are in good agreement with the predictions of DFT-B3LYP/6-311G(d) calculations that indicate a singlet bent isomer ground state structure with triplet linear and singlet cyclic isomers lying slightly higher in energy. This is the first optical detection of any isomer of ZnC(3).
authors.affiliation: Department of Physics and Astronomy, Texas Christian University, Fort Worth, Texas 76129, USA.
authors.forename: Micheline
authors.initials: M
authors.lastname: Bejjani
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