The C-C*-CO bending mode in camphor (C* denotes a chiral carbon) as originally investigated for parity violation effects by Arimondo et al. [Opt. Commun. 23 (1977) 369] lies in the CO2 laser frequency range with the most intense transition at 1045 cm(-1). The vibrational spectrum of camphor is, therefore, reinvestigated by ab initio and density functional calculations and compared with experimental results. This provides the basis for a local mode analysis which reveals that the C-C*-CO bending mode has only minute parity violation contributions (<10(-5) Hz) to vibrational transitions far below the current detection limit of high resolution spectroscopy.

The vibrational spectrum of camphor from ab initio and density functional theory and parity violation in the C-C*-CO bending mode / P., Schwerdtfeger; A., Kuehn; R., Bast; J. K., Laerdahl; Faglioni, Francesco; Lazzeretti, Paolo. - In: CHEMICAL PHYSICS LETTERS. - ISSN 0009-2614. - STAMPA. - 383:(2004), pp. 496-501. [10.1016/j.cplett.2003.11.035]

The vibrational spectrum of camphor from ab initio and density functional theory and parity violation in the C-C*-CO bending mode

FAGLIONI, Francesco;LAZZERETTI, Paolo
2004

Abstract

The C-C*-CO bending mode in camphor (C* denotes a chiral carbon) as originally investigated for parity violation effects by Arimondo et al. [Opt. Commun. 23 (1977) 369] lies in the CO2 laser frequency range with the most intense transition at 1045 cm(-1). The vibrational spectrum of camphor is, therefore, reinvestigated by ab initio and density functional calculations and compared with experimental results. This provides the basis for a local mode analysis which reveals that the C-C*-CO bending mode has only minute parity violation contributions (<10(-5) Hz) to vibrational transitions far below the current detection limit of high resolution spectroscopy.
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The vibrational spectrum of camphor from ab initio and density functional theory and parity violation in the C-C*-CO bending mode / P., Schwerdtfeger; A., Kuehn; R., Bast; J. K., Laerdahl; Faglioni, Francesco; Lazzeretti, Paolo. - In: CHEMICAL PHYSICS LETTERS. - ISSN 0009-2614. - STAMPA. - 383:(2004), pp. 496-501. [10.1016/j.cplett.2003.11.035]
P., Schwerdtfeger; A., Kuehn; R., Bast; J. K., Laerdahl; Faglioni, Francesco; Lazzeretti, Paolo
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/609231
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