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Huber 1979 | K. P. Huber and G. Herzberg, "Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules", Van Nostrand Reinhold: New York 1979 | Wade 2002 | E. A. Wade, J. I. Cline, K. T. Lorenz, C. Hayden, and D. W. Chandler, J. Chem. Phys. 116, 4755 (2002) | Gero 1948 | L Gerö and R. Schmid, Proc. Phys. Soc. 60 533 (1948) | Brown 1972 | J. M. Brown, A. R. H. Cole, and F. R. Honey, Mol. Phys. 23, 287 (1972) | note NO | Huber 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) |
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