Potassium 3-oxo-2,3-dihydro-1H-inden-4-olate: Formation, molecular and electronic structure

被引：1

作者：

Sigalov, Mark ^{[1
]}

Shainyan, Bagrat ^{[2
]}

Sterkhova, Irina ^{[2
]}

机构：

[1] Ben Gurion Univ Negev, Dept Chem, IL-84105 Beer Sheva, Israel

[2] Russian Acad Sci, Siberian Div, AE Favorsky Irkutsk Inst Chem, Irkutsk 664033, Russia

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2016年 / 1123卷

关键词：

7-Hydroxy-l-indanone; Chelation; NMR; IR; UV spectroscopy; X-ray; DFT; MP2; calculations; COMPLEXES;

D O I：

10.1016/j.molstruc.2016.06.023

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：

Unlike 1-indanone, 7-hydroxy-1-indanone does not enter the base-catalyzed condensation reaction with 1H-pyrrole-2-carbaldehyde but, instead, gives the salt, potassium 3-oxo-2,3-dihydro-1H-inden-4-olate dihydrate. X-ray analysis, NMR, IR, UV spectroscopy, DFT and MP2 calculations allowed to prove the chelate structure of the salt and to estimate the effect of chelation on the spectral properties as well as to explain the specific reactivity. (C) 2016 Elsevier B.V. All rights reserved.

引用

页码：44 / 48

页数：5

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