title: Fourier transform infrared isotopic study of linear MnC3: identification of the ν1(σ) fundamental.
abstract: Linear MnC(3) has been detected in the products from the dual laser ablation of carbon and manganese rods trapped in solid Ar at ∼12 K. The ν(1)(σ) vibrational fundamental, an asymmetric carbon stretching mode, has been identified at 1846.9 cm(-1). Fourier transform infrared measurements of (13)C isotopic shift are in good agreement with the predictions of density functional theory calculations using the mPW1PW91 functional with 6-311+G(3df) basis set. This is the first optical detection of the linear isomer of MnC(3) for which previous photoelectron spectroscopy studies have reported evidence of a cyclic isomer.
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: C M L
authors.initials: CM
authors.lastname: Rittby
authors.forename: W M R
authors.initials: WM
authors.lastname: Graham