Interaction potential and infrared absorption of endohedral H2 in C60.

作者: Min Ge , U. Nagel , D. Hüvonen , T. Rõõm , S. Mamone

DOI: 10.1063/1.3535598

关键词:

摘要: We have measured the temperature dependence of infrared spectra a hydrogen molecule trapped inside C60 cage, H2@C60, in range from 6 to 300 K and analyzed excitation spectrum by using five-dimensional model vibrating rotor spherical potential. The electric dipole moment is induced translational motion endohedral H2 gives rise an absorption process where one quantum created or annihilated, ΔN = ±1. Some fundamental transitions, 0, are observed as well. rotation unhindered but coupled motion. isotropic translation–rotation coupling part potential anharmonic different ground excited vibrational states H2. frequency rotational constant smaller than those gas phase. assignment lines ortho- para-H2 confirmed measuring para enriched sample H2@C60 i...

参考文章(43)
Gerhard Herzberg, Klaus-Peter Huber, Constants of diatomic molecules ,(1979)
Walter Gordy, Robert I. Cook, Microwave molecular spectra ,(1970)
D A Varshalovich, A N Moskalev, V K Khersonskii, Quantum Theory of Angular Momentum ,(1988)
H. Kuzmany, M. Krause, M. Hulman, K. H. Michel, B. Verberck, Superposition of quantum and classical rotational motions in Sc2C2@C84 fullerite Journal of Chemical Physics. ,vol. 126, pp. 064304- 064304 ,(2007) , 10.1063/1.2434175
Minzhong Xu, Francesco Sebastianelli, Zlatko Bačić, Ronald Lawler, Nicholas J. Turro, Quantum dynamics of coupled translational and rotational motions of H2 inside C60. Journal of Chemical Physics. ,vol. 128, pp. 011101- 011101 ,(2008) , 10.1063/1.2828556
R. M. Berns, P. E. S. Wormer, F. Mulder, A. van der Avoird, Ab initio calculations of the collision-induced dipole in He-H2 : I. A valence bond approach Journal of Chemical Physics. ,vol. 69, pp. 2102- 2109 ,(1978) , 10.1063/1.436810
Michael C. Martin, Xiaoqun Du, John Kwon, L. Mihaly, Observation and assignment of silent and higher-order vibrations in the infrared transmission of C 60 crystals Physical Review B. ,vol. 50, pp. 173- 183 ,(1994) , 10.1103/PHYSREVB.50.173
A. J. Horsewill, K. S. Panesar, S. Rols, M. R. Johnson, Y. Murata, K. Komatsu, S. Mamone, A. Danquigny, F. Cuda, S. Maltsev, M. C. Grossel, M. Carravetta, M. H. Levitt, Quantum Translator-Rotator: Inelastic Neutron Scattering of Dihydrogen Molecules Trapped inside Anisotropic Fullerene Cages Physical Review Letters. ,vol. 102, pp. 013001- ,(2009) , 10.1103/PHYSREVLETT.102.013001
S. A. FitzGerald, H. O. H. Churchill, P. M. Korngut, C. B. Simmons, Y. E. Strangas, Low-temperature infrared spectroscopy ofH2in crystallineC60 Physical Review B. ,vol. 73, pp. 155409- ,(2006) , 10.1103/PHYSREVB.73.155409
Krzysztof Pachucki, Jacek Komasa, Electric dipole rovibrational transitions in the HD molecule Physical Review A. ,vol. 78, pp. 052503- ,(2008) , 10.1103/PHYSREVA.78.052503