Curvature matching and strain relief in bucky-tori:: usage of sp3-hybridization and nonhexagonal rings

被引:12
作者
Babic, D
Klein, DJ [1 ]
Schmalz, TG
机构
[1] Texas A&M Univ, Galveston, TX 77553 USA
[2] Rudjer Boskovic Inst, Zagreb, Croatia
关键词
bucky-tori; curvature; strain; tori;
D O I
10.1016/S1093-3263(00)00115-7
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
The relief of different types of curvature strain in bucky-tori of elemental carbon is considered in a general formal framework. This theory then is used to aid in the design of several structures, which are treated via molecular mechanics. Novel illustrations of the remnant strain are made, and some modest conclusions as to the nature of the structure of the experimentally observed bucky-tori are suggested. (C) 2001 by Elsevier Science Inc.
引用
收藏
页码:222 / 231
页数:10
相关论文
共 49 条
[1]   Ring formations from catalytically synthesized carbon nanotubes [J].
Ahlskog, M ;
Seynaeve, E ;
Vullers, RJM ;
Van Haesendonck, C ;
Fonseca, A ;
Hernadi, K ;
Nagy, JB .
CHEMICAL PHYSICS LETTERS, 1999, 300 (1-2) :202-206
[2]  
Altshuler A., 1973, Discrete Mathematics, V4, P201, DOI 10.1016/S0012-365X(73)80002-0
[3]  
BAGGOT J, 1994, PERFECT SYMMETRY, P91
[4]   CLASSIFICATION SCHEME FOR TOROIDAL MOLECULES [J].
BERGER, J ;
AVRON, JE .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1995, 91 (22) :4037-4045
[5]  
BOCHVAR DA, 1973, DOKL AKAD NAUK SSSR+, V209, P610
[6]   MOLECULAR MECHANICS OF TOROIDAL CARBON MOLECULES [J].
BORSTNIK, B ;
LUKMAN, D .
CHEMICAL PHYSICS LETTERS, 1994, 228 (4-5) :312-316
[7]   PentHex puzzles - A reliable and efficient top-down approach to fullerene-structure enumeration [J].
Brinkmann, G ;
Dress, AWM .
ADVANCES IN APPLIED MATHEMATICS, 1998, 21 (03) :473-480
[8]   A constructive enumeration of fullerenes [J].
Brinkmann, G ;
Dress, AWM .
JOURNAL OF ALGORITHMS, 1997, 23 (02) :345-358
[9]   UNIFIED THEORY OF GRAPH SPECTRAL REDUCTION NETWORKS .4. SPECTRAL-ANALYSIS OF GRAPHS BY CYCLIC AUTOMORPHISM SUBGROUPS [J].
DAVIDSON, RA .
THEORETICA CHIMICA ACTA, 1981, 58 (03) :193-231
[10]  
DAVIDSON RA, 1989, COMMUNICATION