Chemical Physics Letters, Vol.609, 70-75, 2014
Fourier transform microwave/millimeter-wave spectroscopy of the ScC2 ((X)over-tilde(2)A(1)) radical: A model system for endohedral metallofullerenes
The pure rotational spectrum of the ScC2 radical ((X) over tilde (2)A(1) has been measured using Fourier transform microwave/millimeter-wave techniques in the frequency range 15-63 GHz - the first high-resolution spectroscopic study of a 3d dicarbide species. ScC2 was created in a supersonic expansion from laser ablated scandium and CH4 in the presence of a DC discharge. Four transitions, N-Ka,N-Kc = 1(01) -> 0(00) through 4(04) -> 3(03), were recorded, each consisting of multiple fine/hyperfine components; rotational, fine structure, and Sc(I = 7/2) hyperfine constants were determined. These measurements confirm the T-shaped geometry for ScC2, and suggest the molecule has significant covalent character. (C) 2014 Elsevier B.V. All rights reserved.