Vibrational Assignment of theS1Fluorescence Excitation Spectrum of Formyl Fluoride

✍ Scribed by Jason C. Crane; Hakhyun Nam; Harry P. Beal; Horst Clauberg; Young S. Choi; C.Bradley Moore; John F. Stanton

• Publisher: Elsevier Science
• Year: 1997
• Tongue: English
• Weight: 340 KB
• Volume: 181
• Category: Article
• ISSN: 0022-2852
• DOI: 10.1006/jmsp.1996.7160

✦ Synopsis

The S 1 fluorescence excitation spectrum of jet-cooled formyl fluoride, HFCO and DFCO, was recorded from 37 500 to 40 250 cm 01 at 0.20 cm 01 resolution. Vibrational bands were assigned primarily to progressions in the Franck-Condon active modes n 2 , n 5 , and n 6 . Tunneling splittings were observed in the n 6 progression and fit to a model doublewell potential Hamiltonian. Vibrational energies were fit to a Dunham expansion modified to account for the inversion doubling in the n 6 progression. Best fit spectroscopic constants are reported including harmonic frequencies and anharmonic constants. S 0 r S 1 Franck-Condon factors were calculated with the Duschinsky rotation included and support the vibrational assignment. The S 1 geometry and vibrational potential inferred from the present analysis are compared to ab initio results.