2,5,8-Tri-tert-butyl-1,3,4,6,7,9-hexaazaphenalene: Synthesis, Crystal Structure and Calculation of Homolytic N-H Bond Dissociation Enthalpies

被引：2

作者：

Jiang, Yuqin ^{[1
]}

Zhang, Huaqiang ^{[1
]}

Wan, Xiangjian ^{[1
]}

Xue, Xiaosong ^{[2
]}

Liu, Yuanhai ^{[2
]}

Song, Haibin ^{[3
]}

Yu, Ao ^{[2
]}

Chen, Yongsheng ^{[1
,1
]}

机构：

[1] Nankai Univ, Coll Chem, Inst Polymer Chem, Ctr Nanoscale Sci & Technol, Tianjin 300071, Peoples R China

[2] Nankai Univ, Coll Chem, Cent Lab, Tianjin 300071, Peoples R China

[3] Nankai Univ, State Key Lab Elementoorgan Chem, Tianjin 300071, Peoples R China

来源：

ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES | 2008年 / 63卷 / 12期

关键词：

Phenalenyl; Hexaazaphenalene; Crystal Structure; Bond Dissociation Enthalpy;

D O I：

10.1515/znb-2008-1214

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

2,5,8-Tri-tert-butyl-1,3,4,6,7,9-hexaazaphenalene (6) was prepared from diethyl 2-[bis(methylsulfanly)methylene]malonate (1) in four steps. The structure of compound 6 was confirmed by single crystal X-ray diffraction. The phenalene skeleton is nearly planar, and there is no pi-pi overlap between the hexaazaphenalene rings. A calculation of the homolytic bond dissociation enthalpy (BDE) was performed for compound 6 and its analogs 7 and 8, and the results were used 10 explain the different reactivity for these three compounds to form the corresponding radicals.

引用

页码：1425 / 1430

页数：6

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