BETA-DIKETONE INTERACTIONS .12. THE STRUCTURE AND PROPERTIES OF 3-(3',4',5'-TRIMETHYLPHENYL)-PENTANE-2,4-DIONE, C14H18O2 - THE HYDROGEN-BOND ENERGY OF THE ENOL TAUTOMERS OF BETA-DIKETONES

被引：37

作者：

EMSLEY, J

MA, LYY

NYBURG, SC

PARKINS, AW

机构：

[1] Department of Chemistry, King's College, Strand, London

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1990年 / 240卷

关键词：

D O I：

10.1016/0022-2860(90)80496-7

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：

The X-ray crystal structure of 3-(3′,4′,5′-trimethylphenyl) pentane-2,4-dione shows it to be the enol tautomer, with a hydrogen bond length RO&...o of 2.460 Å, and the enol ring remarkably symmetrical indicating a strong hydrogen bond. The hydrogen-bond energy is estimated to be 110±10 kJ mol-1, a value derived from the infra-red spectrum. In CDCl3 solutin 8% of the keto tautomer is present. © 1990.

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页码：59 / 67

页数：9

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