The vibrational contribution to the polarisability of endohedral [C60M]n+ complexes (where M = metal atom)

✍ Scribed by D.B. Whitehouse; A.D. Buckingham

• Publisher: Elsevier Science
• Year: 1993
• Tongue: English
• Weight: 584 KB
• Volume: 207
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(93)89009-7

✦ Synopsis

In the following study, a mechanism is postulated whereby [C&M]"+ endohedral complexes may show an exceptionally large vibrational contribution to the dipole polarisability. Ab initio calculations are carried out for the complexes [C&i] +, [ Caa] + and [C&$#+_ A simple classical analysis of the results indicates that the vibrational contribution to the polarisability can be many times the electronic contribution. It should be associated with an intense absorption in the microwave region of the spectrum.