We investigated the high-resolution near-edge X-ray absorption fine structure of hydrogenated and fully deuterated naphthalene in the gas phase. The rich fine structure in the C K-edge spectra is identified as coupling of the electronic transitions to various vibronic excitations as supported by ab initio calculations. The differences in the spectroscopic signatures of the two isotopes strongly suggest significant contributions of C–H (C–D) and C–C vibrational modes. This is corroborated by a comparison with the similar spectra of (deuterated) benzene, which allows the identification of at least two CH (CD) modes and one CC mode.

Isotope effects in high-resolution NEXAFS spectra of naphthalene / D., Hubner; F., Holch; Rocco, Mlm; K. C., Prince; Stranges, Stefano; A., Scholl; E., Umbach; R., Fink. - In: CHEMICAL PHYSICS LETTERS. - ISSN 0009-2614. - STAMPA. - 415:1-3(2005), pp. 188-192. [10.1016/j.cplett.2005.09.018]

Isotope effects in high-resolution NEXAFS spectra of naphthalene

STRANGES, Stefano;
2005

Abstract

We investigated the high-resolution near-edge X-ray absorption fine structure of hydrogenated and fully deuterated naphthalene in the gas phase. The rich fine structure in the C K-edge spectra is identified as coupling of the electronic transitions to various vibronic excitations as supported by ab initio calculations. The differences in the spectroscopic signatures of the two isotopes strongly suggest significant contributions of C–H (C–D) and C–C vibrational modes. This is corroborated by a comparison with the similar spectra of (deuterated) benzene, which allows the identification of at least two CH (CD) modes and one CC mode.
2005
01 Pubblicazione su rivista::01a Articolo in rivista
Isotope effects in high-resolution NEXAFS spectra of naphthalene / D., Hubner; F., Holch; Rocco, Mlm; K. C., Prince; Stranges, Stefano; A., Scholl; E., Umbach; R., Fink. - In: CHEMICAL PHYSICS LETTERS. - ISSN 0009-2614. - STAMPA. - 415:1-3(2005), pp. 188-192. [10.1016/j.cplett.2005.09.018]
File allegati a questo prodotto
Non ci sono file associati a questo prodotto.

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/50306
 Attenzione

Attenzione! I dati visualizzati non sono stati sottoposti a validazione da parte dell'ateneo

Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 16
  • ???jsp.display-item.citation.isi??? 15
social impact