INFRARED ROTATION AND VIBRATION-ROTATION BANDS OF ENDOHEDRAL FULLERENE COMPLEXES - HE-AT-C-70

Citation
Cg. Joslin et al., INFRARED ROTATION AND VIBRATION-ROTATION BANDS OF ENDOHEDRAL FULLERENE COMPLEXES - HE-AT-C-70, Chemical physics letters, 244(1-2), 1995, pp. 93-99
Citations number
13
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
244
Issue
1-2
Year of publication
1995
Pages
93 - 99
Database
ISI
SICI code
0009-2614(1995)244:1-2<93:IRAVBO>2.0.ZU;2-P
Abstract
We calculate the far-infrared absorption spectrum of the endohedral fu llerene He@C-70. In this molecule the He inclusion experiences a stron gly anisotropic potential V(rho, z). The 2D Schrodinger equation gover ning its rovibrational motion is solved variationally. The spectrum co nsists of strong P- and R-branches (Delta m = +/-1) and a much weaker Q-branch (Delta m = 0), and peaks near 100cm(-1). Despite its apparent complexity, however, the eigenvalue spectrum is essentially regular, and the system displays little evidence of chaos.