Vibrational Assignment and Anharmonic Resonance Analysis of the Dispersed Fluorescence and Stimulated Emission Pumping Spectra of DFCO (S0) up to 9000 cm−1
✍ Scribed by Jason C. Crane; Akio Kawai; Hakhyun Nam; Horst Clauberg; Harry P. Beal; Penny Guinn; C.Bradley Moore
- Publisher
- Elsevier Science
- Year
- 1997
- Tongue
- English
- Weight
- 331 KB
- Volume
- 183
- Category
- Article
- ISSN
- 0022-2852
No coin nor oath required. For personal study only.
✦ Synopsis
states of S 1 are presented up to 9000 cm 01 . Progressions are assigned primarily to vibrational states with excitation in the Franck-Condon active modes n 2 , n 5 , and n 6 . The spectrum is perturbed by a 266 (n 2 É 2n 6 ), a 233 (n 2 É 2n 3 ), and a 3566 (n 3 / n 5 É 2n 6 ) anharmonic resonance. These three resonances are increasingly important at high vibrational energies, thus explaining the complexity of the DFCO spectrum compared to that of HFCO. Seventyfive vibrational states are assigned as eigenstates of a 266, 233, and 3566 anharmonic resonance Hamiltonian. The rms deviation in the calculated energies is 1.2 cm 01 . Harmonic frequencies and anharmonic constants are reported. These are compared to constants derived from ab initio potential energy surfaces.