New analysis of the Douglas-Herzberg system (A1Π-X1Σ+) in the CH+ ion radical -: The A1Π-X1Σ+ system in the CH+

Three bands of the A(1)Pi - X(1)Sigma(+) system in the (CH+)-C-12 ion radical have been rephotographed under high resolution as an emission spectra using a Geissler-type discharge tube. The conventional technique of spectroscopy has been implemented. Using the Th lines as a standards, as well as an interferometric comparator equipped with a photoelectric scanning device, the 0-0 , 0-1 and 2-1 bands have been reanalyzed. By means of much longer bands (J(max) = 17 in the Q(J) branch of the 0-0 band; J(max) = 16 in the R(J) branch of the 0-1 band; J(max) = 14 in the P(J) and Q(J) branches of the 2-1 band), than have been observed so far, as well as the merged calculations, using another five bands given by Carrington et al. [A. Carrington, D.A. Ramsay, Phys. Scripta 25, 272 (1982)] additionally, more accurate molecular constants for the X(1)Sigma(+) state, the improved reduced band system origin T-e = 24118.726 (14) cm(-1) as well as for the first time the equilibrium molecular constants with their one standard deviation for the A(1)Pi state in the CH+ molecule have been computed: omega(e)'=1864.402(22), omega(e)x(e)'=115.832(14), omega(e)y(e)'= 2.6301(24), B-e'=11.88677(72), alpha(e)'= 0.9163(18), gamma(e)'= -2.29(12)x10(-2), epsilon(e)'= 4.95(20)x10(-3), D-e'=1.92960(31)x10(-3), beta(e)'= 1.0733(50)x10(-4), delta(e)'= -1.312(16)x10(-5), q(e)(') = 4.102( 23)x10(-2), alpha(qe)(') = -3.14( 16)x10(-3), and q(De)(') = -2.20( 14)x10(-5) cm(-1). Only in our research the addition to the zero-point energy Y-00(') = -1.9430 cm(-1) and Y-00(") = 1.8953 cm(-1) have been calculated. The equilibrium bond lengths of r(e)(') = 1.235053( 37) (A) over circle and r(e)(") = 1.1308843( 30) (A) over circle for the A(1)Pi and X(1)Sigma(+) states, respectively have been computed. Full quantum-mechanics characteristic of the A-X bands system in the (CH+)-C-12 molecule, i.e. RKR turning points, the Franck- Condon factors and r-centroids have been obtained. Dissociation energies D-e(X1 Sigma+) = ( 38470 +/- 3503) cm(-1) and D-e(A1 Pi+) = ( 14415 +/- 3509) cm(-1) for the molecule under consideration have been estimated.