STABILITY RULES OF ICOSAHEDRAL (IH OR I) FULLERENES
作者： Au Chin Tang , Fu Qiang Huang
DOI: 10.1016/S0009-2614(95)01251-6
关键词:
摘要: Abstract According to the number of carbon atoms, icosahedral (I h or I) fullerenes can be classified into two types: first with n = 60 N , and second ′ + 20, where are non-negative integers determined by group properties. By means our proposed method for Huckel chemistry calculation, we have calculated electronic structures 66 molecules type 87 type. From results, some general rules on stability chemical reactivity been found.
harvard.edu
elsevier.com
sci-hub.se 参考文章(22)
H. W. Kroto, J. R. Heath, S. C. O’Brien, R. F. Curl, R. E. Smalley, C 60 : Buckminsterfullerene Nature. ,vol. 318, pp. 162- 163 ,(1985) , 10.1038/318162A0
K. Balasubramanian, Nuclear spin statistics of larger fullerene cages (C50, C70, C76, and C84) The Journal of Physical Chemistry. ,vol. 97, pp. 8736- 8744 ,(1993) , 10.1021/J100136A015
P.W. Fowler, J. Woolrich, π-Systems in three dimensions Chemical Physics Letters. ,vol. 127, pp. 78- 83 ,(1986) , 10.1016/S0009-2614(86)80212-3
Shukichi Yamana, An easily constructed bicapped trigonal prism model Journal of Chemical Education. ,vol. 66, pp. 1021- 1022 ,(1988) , 10.1021/ED066P1021
Jian Ping Lu, Weitao Yang, Shape of large single- and multiple-shell fullerenes Physical Review B. ,vol. 49, pp. 11421- 11424 ,(1994) , 10.1103/PHYSREVB.49.11421
Jerry Ray Dias, A facile Huckel molecular orbital solution of Buckminsterfullerene using chemical graph theory Journal of Chemical Education. ,vol. 66, pp. 1012- ,(1989) , 10.1021/ED066P1012
Au Chin Tang, Fu Qiang Huang, Qian Shu Li, Ruo Zhuang Liu, Hückel treatment of carbon species with icosahedral symmetry Chemical Physics Letters. ,vol. 227, pp. 579- 587 ,(1994) , 10.1016/0009-2614(94)00877-9
L. D. LAMB, D. R. HUFFMAN, R. K. WORKMAN, S. HOWELLS, T. CHEN, D. SARID, R. F. ZIOLO, Extraction and STM Imaging of Spherical Giant Fullerenes. Science. ,vol. 255, pp. 1413- 1416 ,(1992) , 10.1126/SCIENCE.255.5050.1413
G. B. Adams, O. F. Sankey, J. B. Page, M. O'Keeffe, D. A. Drabold, Energetics of Large Fullerenes: Balls, Tubes, and Capsules Science. ,vol. 256, pp. 1792- 1795 ,(1992) , 10.1126/SCIENCE.256.5065.1792
Au-chin Tang, Qian-shu Li, Chun-wan Liu, Jun Li, Symmetrical clusters of carbon and boron Chemical Physics Letters. ,vol. 201, pp. 465- 469 ,(1993) , 10.1016/0009-2614(93)85102-T