| Literature DB >> 23370789 |
Abstract
We calculate here the Raman frequencies of the lattice modes A(Ag), B(B₂g) and C(B₁gB₃g) as a function of pressure at room temperature for the solid phases (II, III and III') of benzene. This calculation is performed using volume data through the mode Grüneisen parameter. It is found that our calculated frequencies of those lattice modes increase with increasing pressure, as expected. Calculated frequencies are in good agreement with the measurements of the three lattice modes for the solid phases studied in benzene.Entities:
Year: 2013 PMID: 23370789 DOI: 10.1007/s00894-013-1771-6
Source DB: PubMed Journal: J Mol Model ISSN: 0948-5023 Impact factor: 1.810