Vibrational assignment of 4-amino-3-penten-2-one

被引：23

作者：

Tayyari, SF ^{[1
]}

Raissi, H ^{[1
]}

Tayyari, F ^{[1
]}

机构：

[1] Ferdowsi Univ Mashhad, Dept Chem, Mashhad 91775, Iran

来源：

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY | 2002年 / 58卷 / 08期

关键词：

intramolecular hydrogen bond; aminoketone; 4-amino-3-penten-2-one; vibrational spectra; alpha; beta-unsaturated-beta-ketoenamines;

D O I：

10.1016/S1386-1425(01)00620-5

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

The infrared and Raman spectra of 4-amino-3-penten-2-one and its two deuterated analogous have been measured. Comparison between the spectra recorded with two techniques, density functional theory (DFT) calculations and the spectral behavior upon deuteration was used for assignment of the vibrational spectra of the titled compound. DFT suggests a relatively strong intramolecular bent hydrogen bond with (NO)-O-... distance in the range of 2.64-2.67 Angstrom, which is in agreement with the observed nuNH at 3180 cm(-1). Existence of an intermolecular hydrogen bond is also shown in both solid and solution phases. The spectroscopic data support the enamine structure for this compound rather than imine structure. (C) 2002 Elsevier Science B.V. All rights reserved.

引用

页码：1681 / 1695

页数：15

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