Synchrotron X-ray Diffraction and Infrared Spectroscopy Studies of C60H18 under High Pressure
2010 (English)In: The journal of physical chemistry letters, ISSN 1948-7185, Vol. 1, no 4, 714-719 p.Article in journal (Refereed) Published
In situ high-pressure angle-dispersive synchrotron X-ray diffraction and high-pressure mid-infrared (IR) spectrum measurements of C-60-H-18 were carried out up,to 32 and 10.2 GPa, respectively. Our diffraction data indicated that the fcc structure of C60H18 was stable up to 32 GPa. The bulk modulus B-0 was determined to be 21 +/- 1.16 GPa, about 40% higher than that of C-60. The C-H vibrations still existed up to 10.2 GPa, and the vibrational frequencies decreased with increasing pressure. IR-active vibrational frequencies and their corresponding eigenvectors of C60H18 were simulated by DMOL3. The effects of the hydrogen atoms attached to the fullerene molecular cage on the stability of the structure under high pressure are discussed.
Place, publisher, year, edition, pages
2010. Vol. 1, no 4, 714-719 p.
IdentifiersURN: urn:nbn:se:su:diva-49692DOI: 10.1021/jz9003262ISI: 000277040600007OAI: oai:DiVA.org:su-49692DiVA: diva2:379341
authorCount :132010-12-172010-12-172010-12-17Bibliographically approved