Rovibronic states of the X-2 Pi state of CCO-

For the (XII)-I-2 electronic ground state of CCO- three-dimensional potenti al energy functions have been generated ab initio and used in variational R enner-Teller calculations including electron spin. The spin-orbit constant has been calculated to be -57.8 cm(-1), the rotational constant B-e = 0.383 1 cm(-1), with R-e(CO) = 1.221 Angstrom and r(e)(CC) = 1.308 Angstrom. Rovi bronic levels (J = P) for J less than or equal to 5/2 are given for energie s up to about 4000 cm(-1). For the vertical A (2)Sigma(+) -X(2)Pi transitio n the electronic transition moment amounts to 0.88 debye. yielding a radiat ive lifetime of 1.1 mu s for the A-state. (C) 1999 Elsevier Science B.V. Al l rights reserved.