Journal of Physical Chemistry A, Vol.117, No.47, 12299-12312, 2013
First Analysis of the 1-v'' Progression of the Angstrom (B-1 Sigma(+)-A(1)Pi) Band System in the Rare (CO)-C-13-O-17 Isotopologue
The 1-v '' progression of the Angstrom band system, so far unobserved in the rare (CO)-C-13-O-17 isotopologue, was obtained under high resolution as an emission spectrum using a high accuracy dispersive optical spectroscopy. In the studied region 22 700-24 500 cm(-1), 146 spectral lines were observed, among which 118 were interpreted as belonging to the 1-0 and 1-1 bands of B-A system, and the next 28 were interpreted as extra lines belonging to the 1-1 band of B-1 Sigma(+)-e(3)Sigma(-) intercombination system, also unobserved in the 13070 molecule so far. All those lines were precisely measured with an estimated accuracy better than 0.0025 cm(-1), and rotationally analyzed. As a result the following in the (CO)-C-13-O-17 molecule were calculated for the first time: the merged rotational constants B-1 = 1.790 227(23) cm(-1), D-1 = 6.233(47) X 10(-6) cm(-1), and Delta G(1/2) = 2010.9622 (69) cm(-1) and the equilibrium constants, omega(e) = 2076.04(57) cm(-1), omega(e)x(e) = 32.54(28) cm(-1), B-e = 1.824 678(15) cm(-1), alpha(e) = 2.2967(24) X 10(-2) cm(-1), D-e = 5.226(25) X 10(-6) cm(-1), and beta(e) = 6.71(48) X 10(-7) cm(-1) for the B-1 Sigma(+) Rydberg state, as well as the individual rotational constant B-0 = 1.504 85(78) cm(-1), and the equilibrium constants omega(e) = 1463.340(21) cm(-1), B-e = 1.499 02(12) cm(-1), alpha(e) = 1.778 2(49) X 10(-2) cm(-1), D-e = 7.36(56) X 10(-6) cm(-1) for the A(1)Pi state, and sigma(e) = 21 854.015(51) cm(-1), RKR turning points, Franck-Condon factors (FCF), relative intensities, and r centroids for the Angstrom band system. With the help of the strong and vast A(1)Pi (v = 0) similar to e(3)Sigma(-) (v = 1) interaction, the experimental parameters of the e(3)Sigma(-) (v = 1) perturbing state were established in the (CO)-C-13-O-17 molecule for the first time.