The ring-puckering motion in perfluorocyclobutane (CROSBI ID 263839)
Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija
Podaci o odgovornosti
Fischer, Gad ; Purchase, R.L. ; Smith, D.M.
engleski
The ring-puckering motion in perfluorocyclobutane
The spectral structure arising from the puckering vibration of perfluorocyclobutane has been modelled with a quadratic-quartic potential and using the inversion barrier height, and the vibrational frequency determined in ab initio molecular orbital calculations. The side-band intensity is largely concentrated in a narrow range displaced some 60 cm(-1) from the fundamentals. The molecular structure and vibrational frequencies have been determined by ab initio molecular orbital computations. Good agreement has been achieved with experiment. The infrared spectrum has been remeasured in a jet-cooled beam.
ring-puckering ; perfluorocyclobutane
nije evidentirano
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Podaci o izdanju
405 (2-3)
1997.
159-167
objavljeno
0022-2860
1872-8014
10.1016/S0022-2860(96)09590-7