Rotational analysis of the A - X system of tellurium monoxide

Abstract

A fairly complete rotational analysis has been made of a number of bands of the main system A-X of TeO using two separated tellurium isotopes. A new vibrational analysis is proposed and is confirmed by the isotope effect. The structure of the bands indicates that Hund's case c applies to both states, so that the transition is better described as A0+-X0+, A1-X1, rather than A3Σ--X3Σ-. Transitions 1-0+, 0+-1 have not been observed. Derived constants, in cm-1, for 128TeO are as follows: State T00 ωe xeωe A1 27641.83 +x - - A0+ 28036.48 ΔG1/2 = 445.25 X1 x 798.70 4.00 X0+ 0 797.69 4.00 x 2750 cm-1 B 103α r (A) 1+ B0 = 0.2779±0.0002 - A1- B0 = 0.2775±0.0002 - r0 = 2.066 A0+ B0 = 0.2735±0.0001 5.50 ±0.03 r0 = 2.082 1+ Be = 0.3575±0.0003 2.379±0.003 X1- Be = 0.3572±0.0003 2.368±0.003 re = 1.821 X0+ Be = 0.3560±0.0002 2.375±0.004 re = 1.825 The upper state is perturbed, and is also predissociated in A0+ at ν = 9. The dissociation energy D0 is estimated to be about 90 kcal mole-1.