Faraday Laser Magnetic Resonance Spectroscopy of Vibrationally Excited C2D

✍ Scribed by Christian Schmidt; Miljenko Perić; Petra Mürtz; Martin Wienkoop; Martina Havenith; Wolfgang Urban

• Publisher: Elsevier Science
• Year: 1998
• Tongue: English
• Weight: 398 KB
• Volume: 190
• Category: Article
• ISSN: 0022-2852
• DOI: 10.1006/jmsp.1998.7563

✦ Synopsis

We studied the gas phase spectrum of the deuterated ethynyl radical C 2 D in the region between 3196 and 3243 cm 01 using a Faraday LMR spectrometer in combination with a CO overtone laser. The C 2 D radicals were generated in a dc glow discharge containing helium, deuterium, and acetylene. We observed a hot band between two vibronic 2 P states with an origin at 3225 cm 01 . The lower level is assigned to the first excited bending level of the electronic X ground state. The upper level corresponds to the first excited electronic state A at 3513 cm 01 , which was observed previously [ J. Mol. Struct. 190, 41 -60 ( 1988 ) ] . This region is subject to strong vibronic interaction, caused by mixing of the electronic X ground state with the A state at 3513 cm 01 . From the analysis of the spectra we could determine the orbital g factor of the upper level, which gave important information about the mixing ratios. In addition we were able to derive a precise term value for the first excited bending level of the electronic X ground state. The experimentally derived molecular parameters are compared with theoretically calculated values, obtained by ab initio calculations. ᭧ 1998 Academic Press carried out extensive ab initio calculations and suggested an