The IR spectra of phenanthrene-h10 and -d10 have been recorded in the vapour phase from 200 to 3200 cm-1 with a resolution of 0.2 cm-1, using a multipass cell heated at 90°C. The assignment of the vibrational bands has been performed by comparison with the theoretical spectra, evaluated using Density Functional Theory and Scaled Quantum Mechanical (SQM) force fields. We found that both methods reproduce the sequence of the experimental frequencies to a good accuracy, allowing in most cases consistent and unambiguous assignments. The relative intensities have also been measured and compared with theory. © 1997 Elsevier Science B.V.

The gas-phase infrared spectra of phenanthrene-h10 and phenanthrene-d10 / Cane' E.; Miani A.; Palmieri P.; Tarroni R.; Trombetti A.. - In: SPECTROCHIMICA ACTA. PART A, MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. - ISSN 1386-1425. - STAMPA. - 53:11(1997), pp. 1839-1851. [10.1016/S1386-1425(97)00103-0]

The gas-phase infrared spectra of phenanthrene-h10 and phenanthrene-d10

Cane' E.
Primo
;
Palmieri P.;Tarroni R.
Penultimo
;
Trombetti A.
1997

Abstract

The IR spectra of phenanthrene-h10 and -d10 have been recorded in the vapour phase from 200 to 3200 cm-1 with a resolution of 0.2 cm-1, using a multipass cell heated at 90°C. The assignment of the vibrational bands has been performed by comparison with the theoretical spectra, evaluated using Density Functional Theory and Scaled Quantum Mechanical (SQM) force fields. We found that both methods reproduce the sequence of the experimental frequencies to a good accuracy, allowing in most cases consistent and unambiguous assignments. The relative intensities have also been measured and compared with theory. © 1997 Elsevier Science B.V.
1997
The gas-phase infrared spectra of phenanthrene-h10 and phenanthrene-d10 / Cane' E.; Miani A.; Palmieri P.; Tarroni R.; Trombetti A.. - In: SPECTROCHIMICA ACTA. PART A, MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. - ISSN 1386-1425. - STAMPA. - 53:11(1997), pp. 1839-1851. [10.1016/S1386-1425(97)00103-0]
Cane' E.; Miani A.; Palmieri P.; Tarroni R.; Trombetti A.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11585/921134
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