SYNTHESIS, PHOTOPHYSICS AND THEORETICAL AB-INITIO CALCULATIONS OF A BIZWITTERIONIC COMPOUND MODELING THE PHOTOTAUTOMER OF BIPYRIDYL-DIOL

被引：7

作者：

BOROWICZ, P

GRABOWSKA, A

KACZMAREK, L

LES, A

ADAMOWICZ, L

机构：

[1] PHARMACEUT RES INST,PL-01793 WARSAW,POLAND

[2] UNIV WARSAW,DEPT CHEM,PL-02093 WARSAW,POLAND

[3] LUND UNIV,CTR CHEM,DEPT THEORET CHEM,S-22100 LUND,SWEDEN

[4] UNIV ARIZONA,DEPT CHEM,TUCSON,AZ 85721

来源：

CHEMICAL PHYSICS LETTERS | 1995年 / 239卷 / 4-6期

关键词：

D O I：

10.1016/0009-2614(95)00477-L

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：

A new compound, 3-hydroxy-1,1'-dimethyl-3-oxido-[2,2'-bipyridinedium]hydroxide hydrate (1,1'-dimethyl-3,3'-dioxido-[2,2'-bipyridinedium] - DDB), was synthesized as a model of the transient product of the excited state intramolecular proton transfer (ESIPT) reaction (excited phototautomer) of bipyridyl-diol (BP(OH)(2)). The photophysics and quantum chemical ah initio calculations of DDB are reported. The results confirm the zwitterionic character of the excited phototautomer of BP(OH)(2).

引用

页码：282 / 289

页数：8

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