The fundamental wavenumbers v6, v7, v8 and v19 of gas phase benzene have been accurately determined from combination and difference bands present in the infrared spectrum. The anharmonic contribution to the vibrational energy was estimated by means of some anharmonic constants calculated by ab initio methods by Handy et al. [J. Chem. Phys. 97 (1992) 4233]. The fundamentals were checked by comparison with the overtones present in the Raman spectrum determined by Eppinger et al. [J. Mol. Struct. 266 (1992) 389]. © 1997 Elsevier Science B.V.
Cane' E., Miani A., Trombetti A. (1997). The v6, v7, v8 and v19 gas phase fundamental frequencies of 12C6H6. CHEMICAL PHYSICS LETTERS, 272(1-2), 83-85 [10.1016/S0009-2614(97)00490-9].
The v6, v7, v8 and v19 gas phase fundamental frequencies of 12C6H6
Cane' E.Primo
;Trombetti A.
Ultimo
1997
Abstract
The fundamental wavenumbers v6, v7, v8 and v19 of gas phase benzene have been accurately determined from combination and difference bands present in the infrared spectrum. The anharmonic contribution to the vibrational energy was estimated by means of some anharmonic constants calculated by ab initio methods by Handy et al. [J. Chem. Phys. 97 (1992) 4233]. The fundamentals were checked by comparison with the overtones present in the Raman spectrum determined by Eppinger et al. [J. Mol. Struct. 266 (1992) 389]. © 1997 Elsevier Science B.V.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
