Reference Label Details
Huber 1979K. P. Huber and G. Herzberg, "Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules", Van Nostrand Reinhold: New York 1979
Wade 2002E. A. Wade, J. I. Cline, K. T. Lorenz, C. Hayden, and D. W. Chandler, J. Chem. Phys. 116, 4755 (2002)
Gero 1948L Gerö and R. Schmid, Proc. Phys. Soc. 60 533 (1948)
Brown 1972J. M. Brown, A. R. H. Cole, and F. R. Honey, Mol. Phys. 23, 287 (1972)
note NOHuber 1979 gives nu00 = 44200.2 cm-1 for A 2Sigma+ <- X 2Pi1/2, noting that it refers to N=0 of A and the hypothetical J=0 of X. Using Hill and Van Vleck expressions, the hypothetical J=0 of 2Pi1/2 (F1 term) is at -61.14 cm-1 and the same for 2Pi3/2 (F2 term) is at 58.60 cm-1, producing the listed nu00 (3/2 <- 1/2) of 119.7 cm-1. The lowest actual level of 2Pi1/2 is J=1/2 F1=-59.885 cm-1, and the lowest actual level of 2Pi3/2 is J=3/2 F2=65.04 cm-1, giving an actual (3/2 <- 1/2) gap of 124.93 cm-1 (cf. to Brown 1972). Thus, since the energy of the lowest existing state of 2Pi1/2 (J=1/2) is 1.25 cm-1 above the hypothetical J=0 of the same state, the energy of A 2Sigma+ N=0 J=1/2 relative to X 2Pi1/2 J=1/2 is 44199.0 cm-1 (cf. to 44199.2 given by Gero 1948)