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Molecular dynamics and head-tail disorder in the Raman spectrum of crystalline N2O

✍ Scribed by Gianni Cardini; Giorgio F. Signorini; Pier R. Salvi; Roberto Righini

Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
414 KB
Volume
142
Category
Article
ISSN
0009-2614

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✦ Synopsis

The effect of head-tail disorder on the low frequency Raman spectrum of solid N20 is investigated by means of molecular dynamics simulations. The main features of the experimental spectrum are reproduced in the calculation under the assumption that about 10% of the molecules are orientationally disordered.

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