Experimental realization of high spin states in dilutely hydrogenated fullerenes
2009 (English)In: Physica status solidi. B, Basic research, ISSN 0370-1972, E-ISSN 1521-3951, Vol. 246, no 11-12, 2778-2781 p.Article in journal (Refereed) Published
A novel method for preparing dilutely hydrogenated fullerenes H:C60 is presented. DFT calculations of the Raman spectra at the B3LYP/3-21G level are compared with the experimental data. Under the laser treatment these phases form a rich variety of dimeric and polymeric structures, quite in contrast to pristine C60 which forms dimers and polymers bonded through the [2 + 2] addition, and in contrast to heavily hydrogenated fullerenes which do not polymerize at all. Dilutely hydrogenated fullerenes polymerize differently, forming both double bonded structures and single bonded dimers. We have shown that dilute hydrogenation of C60 creates large amount of unpaired spins which disappear due to the formation of diamagnetic single bonded dimers.
Place, publisher, year, edition, pages
John Wiley & Sons, 2009. Vol. 246, no 11-12, 2778-2781 p.
IdentifiersURN: urn:nbn:se:umu:diva-31892DOI: 10.1002/pssb.200982261OAI: oai:DiVA.org:umu-31892DiVA: diva2:298113