Neon matrix electron spin resonance and theoretical investigations of10,11BH2, 12,13CH2, and 12,13CH+2
Knight, L. B.; Winiski, M.; Miller, P. K.; Arrington, C. A.; Feller, D. Neon matrix electron spin resonance and theoretical investigations of10,11BH2, 12,13CH2, and 12,13CH+2. J. Chem. Phys. 1989, 91, 4468-4468.
The BH2 and CHâˆ’ 2 radicals have been generated and trapped in rare gas matrices for ESR(electron spin resonance) investigation. Theoretical calculations were conducted on these radicals and the CH+ 2 cation for detailed comparison with the experimental results. The observed magnetic parameters (MHz) for 13 CHâˆ’ 2 in neon matrices at 4 K were: g iso =2.0027(3); 13 C; â€–A isoâ€–=59(1) and H; â€–A isoâ€–=45(1). For 11 BH2 in argon at 4 K the results were: g iso =2.0016(3); 11 B; A iso=358(2) and H; â€–A isoâ€–=38(1). The electronic structure information obtained for these small radicals from theoretical and experimental results is discussed and compared with other related molecules.
Journal of Chemical Physics