Bonding in polycyclic aromatic hydrocarbons in terms of the electron density and of electron delocalization. (vol 107, pg 7496, 2003)

被引：42
作者：
Matta, CF
Hernández-Trujillo, J
机构：
来源：
JOURNAL OF PHYSICAL CHEMISTRY A | 2005年 / 109卷 / 47期
关键词：
D O I：
10.1021/jp055864r
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
引用
收藏
页码：10798 / 10798
页数：1
相关论文
共 12 条
[1]   Nature of bonding in the cyclization reactions of (2-ethynylphenyl)triazene and 2-ethynylstyrene [J].
Cárdenas, C ;
Chamorro, E ;
Notario, R .
JOURNAL OF PHYSICAL CHEMISTRY A, 2005, 109 (19) :4352-4358
[2]   Nucleus-independent chemical shifts (NICS) as an aromaticity criterion [J].
Chen, ZF ;
Wannere, CS ;
Corminboeuf, C ;
Puchta, R ;
Schleyer, PV .
CHEMICAL REVIEWS, 2005, 105 (10) :3842-3888
[3]   Theoretical study on all-metal aromatic complexes: all-metal aromatic hydrogen bond [J].
Hu, XB ;
Li, HR ;
Liang, WC ;
Han, SJ .
CHEMICAL PHYSICS LETTERS, 2005, 402 (4-6) :539-543
[4]   Sigma- and Pi-electron delocalization: Focus on substituent effects [J].
Krygowski, TM ;
Stepien, BT .
CHEMICAL REVIEWS, 2005, 105 (10) :3482-3512
[5]   The aromatic fluctuation index (FLU):: A new aromaticity index based on electron delocalization -: art. no. 014109 [J].
Matito, E ;
Duran, M ;
Solà, M .
JOURNAL OF CHEMICAL PHYSICS, 2005, 122 (01)
[6]   Bonding in polycyclic aromatic hydrocarbons in terms of the electron density and of electron delocalization [J].
Matta, CF ;
Hernández-Trujillo, J .
JOURNAL OF PHYSICAL CHEMISTRY A, 2003, 107 (38) :7496-7504
[7]   Description of electron delocalization via the analysis of molecular fields [J].
Merino, G ;
Vela, A ;
Heine, T .
CHEMICAL REVIEWS, 2005, 105 (10) :3812-3841
[8]   Theoretical study of borazine and its fluoroderivatives:: Aromaticity and cation-π, anion-π interaction [J].
Miao, R ;
Yang, GS ;
Zhao, CM ;
Hong, J ;
Zhu, LG .
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2005, 715 (1-3) :91-100
[9]   Substituent effect on molecular geometry and aromaticity of symmetric B-trisubstituted borazine [J].
Miao, R ;
Yang, GS ;
Zhao, CM ;
Hong, J ;
Zhu, LG .
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2005, 728 (1-3) :197-202
[10]   Theoretical evaluation of electron delocalization in aromatic molecules by means of atoms in molecules (AIM) and electron localization function (ELF) topological approaches [J].
Poater, J ;
Duran, M ;
Solà, M ;
Silvi, B .
CHEMICAL REVIEWS, 2005, 105 (10) :3911-3947
12