Theoretical predictions and experimental detection of the SiC molecule

Abstract

The 0-0 band of the d+1-b 1 electronic transition of SiC was detected near 6100 cm-1. The SiC molecule was observed by high-resolution Fourier-transform emission spectroscopy from a composite-wall hollow cathode. Ab initio quantum chemical calculations confirm the identity of the carrier of the spectrum as SiC and the d+1-b 1 assignment. Combination of the observed r0 for SiC b 1 with theoretical shifts in bond lengths from b 1 to X 3 gives the astrophysically important bond lengths r0=1.723 and re=1.719 for X 3 to an estimated accuracy of 0.001. © 1988 The American Physical Society.