Maximum in vibrational frequency shift of a hydrogen molecule in solid hydrogen under pressure |
| |
| Institution: | 2. Physics Department, University of Catania, Corso Italia 57, 95129 Catania, Italy;3. Theoretical Chemistry Department, University of Oxford, 1 South Parks Road, Oxford OX1 3TG, England;1. School of Chemical Engineering, Yeungnam University, Gyeongsan-si, Gyeongsangbuk-do 38541, Korea;2. Department of Petroleum and Chemical Engineering, College of Engineering, Sultan Qaboos University, Muscat, Oman;3. Department of Chemical Engineering, COMSATS University Islamabad, Lahore Campus, Lahore, Pakistan |
| |
| Abstract: | Raman measurements on solid hydrogen show a maximum in the vibrational frequency of a H2 molecule as a function of pressure, around 350 Kbar. We give an interpretation of this experimental data by considering a model in which a single H2 molecule is immersed in a dielectric medium, and enclosed in a spheroidal box to simulate the effect of pressure. The maximum results from a balance between a decreasing equilibrium bond length of H2 with pressure at low pressures and a term which reflects the pressure dependence of the dielectric constant. Our results are consistent with available calculations which give a much lower vibrational frequency at a much higher pressure, for a H2 molecule embedded in a metallic medium. |
| |
| Keywords: | |
| 本文献已被 ScienceDirect 等数据库收录！ |
|
