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Sodalite from Vetralla (Roman potassic province) and Bancroft (Ontario, Canada): observed and simulated IR spectra

Sodalite di Vetralla (Provincia magmatica romana) e di Bancroft (Ontario, Canada): spettri IR osservati e simulati

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Abstract

Infrared spectra of sodalites from Vetralla and Bancroft are compared to simulated spectra calculated from the available structural data and from empirical force constants applied to a simplified part-central-force potential-energy model. Calculation gives 18 vibrational modes including the 370 cm-1 mode observed by other authors in Raman spectra only. Increasing Si-O stretching constant implies variation of 3 high-frequency modes. The band group in the 750–650 cm-1 region comprises 3 modes strongly influenced by fal-o and subordinately by fsi-al. The 4 modes in the 500–350 cm-1 region are influenced by fo-si-o with weak contribution of O-oscillation, while the 295 cm-1 band is strongly influenced by fo-o, fNa-o and fal-o

Riassunto

Sono stati registrati gli spettri IR di due campioni di sodalite provenienti da Vetralla e da Bancroft e confrontati con gli spettri simulati a partire da dati strutturali disponibili utilizzando costanti di forza empiriche applicate all’approssimazione delle forze centrali parziali. Sono stati calcolati 18 modi vibrazionali compreso quello a 370 cm-1 osservato da altri autori in soli spettri Raman. L’incremento della costante di stiramento Si-O comporta delle variazioni nei 3 modi a piu alta frequenza. Il raggruppamento di bande posto nella regione 750–650 cm-1 comprende 3 modi fortemente dipendenti da fAl-o e subordinata-mente da fsi-al. I 4 modi posti nella regione 500–350 cm-1 sono influenzati da fo-si-o con piccoli contributi di oscillazioni O, mentre la banda a 295 cm-1 dipende da fo-o, fal-o e fal-o.

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Authors and Affiliations

  1. Dipartimento di Scienze della Terra, Sezione di Mineralogia e Cristallografia Universita degli Studi di Roma «La Sapienza», Piazzale A. Moro, 5-00185, Roma

    Paolo Ballirano, Adriana Maras, Francesco Burragato & A. Mottana

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  1. Paolo Ballirano
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  2. Adriana Maras
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  3. Francesco Burragato
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  4. A. Mottana
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Nella seduta del 9 marzo 1991.

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Ballirano, P., Maras, A., Burragato, F. et al. Sodalite from Vetralla (Roman potassic province) and Bancroft (Ontario, Canada): observed and simulated IR spectra. Rend. Fis. Acc. Lincei 2, 361–369 (1991). https://doi.org/10.1007/BF03000992

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