The most stable class of benzenoid hydrocarbons - New topological correlations of strain-free total resonant sextet benzenoids

被引:20
作者
Dias, JR [1 ]
机构
[1] Univ Missouri, Dept Chem, Kansas City, MO 64110 USA
来源
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 2004年 / 44卷 / 04期
关键词
D O I
10.1021/ci049910g
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
While briefly reviewing how the concepts of strictly pericondensed, strain-free, Clar's aromatic sextet, and symmetry are interconnected in the topological correspondence between strictly pericondensed and total resonant sextet (TRS) benzenoid hydrocarbons, new structural correlations in isomer numbers, symmetry distributions, and empty rings between various strain-free TRS benzenoids made up of only fused hexagonal rings are presented. These correlations are made evident by the Formula Periodic Table for Total Resonant Sextet Benzenoid Hydrocarbons [Table PAH6(sextet)] and application of the leapfrog operation. A new perimeter topology relationship for fused strain-free TRS benzenoids is derived. This work represents a contribution toward understanding formula/structure relationships of benzenoid hydrocarbons.
引用
收藏
页码:1210 / 1220
页数:11
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  • [1] Polyphenylene nanostructures
    Berresheim, AJ
    Müller, M
    Müllen, K
    [J]. CHEMICAL REVIEWS, 1999, 99 (07) : 1747 - 1785
  • [2] Clar E., 1972, AROMATIC SEXTET
  • [3] NOTES ON FULLY BENZENOID HYDROCARBONS AND THEIR CONSTANT-ISOMER SERIES
    CYVIN, BN
    BRUNVOLL, J
    CYVIN, SJ
    [J]. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1992, 32 (01): : 72 - 78
  • [4] CYVIN BN, 1991, J MOL STRUCT THEOCHE, V251, P367
  • [5] CYVIN BN, 1988, MATCH MULHEIM, V23, P163
  • [6] CYVIN BN, 1992, MATCH-COMMUN MAT DEC, P45
  • [7] ENUMERATION AND CLASSIFICATION OF BENZENOID HYDROCARBONS .17. FURTHER DEVELOPMENTS FOR CONSTANT-ISOMER SERIES
    CYVIN, SJ
    [J]. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1991, 31 (02): : 340 - 344
  • [8] NOTE ON THE SERIES OF FULLY BENZENOID HYDROCARBONS WITH A CONSTANT NUMBER OF ISOMERS
    CYVIN, SJ
    [J]. CHEMICAL PHYSICS LETTERS, 1991, 181 (05) : 431 - 434
  • [9] KEKULE STRUCTURE COUNTS FOR SOME CLASSES OF ALL-BENZENOID AND ALL-CORONOID HYDROCARBONS
    CYVIN, SJ
    CYVIN, BN
    BRUNVOLL, J
    GUTMAN, I
    [J]. MONATSHEFTE FUR CHEMIE, 1991, 122 (10): : 771 - 787
  • [10] CYVIN SJ, 1993, CROAT CHEM ACTA, V66, P101