Rotational spectrum and theoretical structure of the carbene HC[sub 4]N.

Authors :: McCarthy, M. C.
Apponi, A. J.
Gordon, V.D.
Gottlieb, C.A.
Thaddeus, P.
Crawford, T. Daniel
Stanton, John F.
Source :: Journal of Chemical Physics. 10/15/1999, Vol. 111 Issue 15, p6750. 5p. 2 Diagrams, 3 Charts, 1 Graph.
Publication Year :: 1999
Abstract: Investigates the HC4N molecular system, which is calculated to possess several low-lying, highly polar carbene isomers. High-level coupled cluster calculation; Rotational spectrum of the bent HC4N singlet carbene; Use of Fourier transform microwave spectroscopy; Leading centrifugal distortion constants; Nitrogen hyperfine coupling constants; Large inertial defect.