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
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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