Site selective processes: A combined theoretical and experimental investigation of thermally activated tautomerization processes in 2(2,4-dinitrobenzyl) pyridine derivatives

被引：19

作者：

Khatib, S

Tal, S

Godsi, O

Peskin, U

Eichen, Y ^{[1
]}

机构：

[1] Technion Israel Inst Technol, Dept Chem, IL-32000 Haifa, Israel

[2] Technion Israel Inst Technol, Techn Excellence Program, IL-32000 Haifa, Israel

[3] Technion Israel Inst Technol, Lise Meitner Ctr Computat Quantum Chem, IL-32000 Haifa, Israel

[4] Technion Israel Inst Technol, Inst Solid State, IL-32000 Haifa, Israel

来源：

TETRAHEDRON | 2000年 / 56卷 / 36期

关键词：

tautomerization; proton-transfer processes; structure-reactivity correlation;

D O I：

10.1016/S0040-4020(00)00497-X

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

The thermally activated NH-->CH tautomerization process in crystals of 2(2,4-dinitrobenzyl) pyridine derivatives was investigated. The results indicate the absence of any trivial molecular structure-reactivity correlation, in contrast to what is found for similar systems in solutions. The absence of molecular structure-reactivity correlation in the crystalline state is attributed to the participation of neighboring molecules in the proton transfer process. A combined experimental and theoretical approach is presented and applied to the study of the tautomerization reaction in crystalline environments. (C) 2000 Elsevier Science Ltd. All rights reserved.

引用

页码：6753 / 6761

页数：9

共 31 条

[1] DELAYED AND DIRECT CAGE EXIT IN PHOTODISSOCIATION OF CL2 IN SOLID AR [J].