Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2005-11-01

Theoretical and vibrational spectroscopic analysis of the CO stretching mode of cholesteryl alkanoates: the particular case of the cholesteryl acetate.

A Zanoun, F Hamza Reguig, M Belhakem, A Krallafa, A Belaidi, D Bormann, G Vergoten

文献索引：Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 62(1-3) , 547-51, (2005)

全文：HTML全文

摘要

Structural and vibrational properties of the CO stretching bond of cholesteryl acetate and related steroids are investigated theoretically and by Micro-Raman spectroscopy. In this work, an analysis of the CO stretching mode for the cholesteryl acetate is presented. Experimental results in crystalline, isotropic liquid and liquid crystal phases are compared with quantum chemical calculations using semi empirical hamiltonians (AM1 and PM3) and the density functional theory. The calculations were performed on isolated molecules with different conformations as found on previous investigations giving strong evidence of their existence. Calculated frequencies are found to be very close to experiments and suggest the possible existence of the predicted conformers.

相关化合物

  • 胆固醇乙酸酯

相关文献：

Use of an improved internal-standard method in the quantitative sterol analyses of phytoplankton and oysters.

1997-09-01

[Lipids 32(9) , 1011-4, (1997)]

Identification of thermal oxidation products of cholesteryl acetate.

1994-10-14

[J. Chromatogr. A. 683(1) , 75-85, (1994)]

Central leptin regulates total ceramide content and sterol regulatory element binding protein-1C proteolytic maturation in rat white adipose tissue.

2009-01-01

[Endocrinology 150(1) , 169-78, (2009)]

Simultaneous false-colour imaging of birefringence, extinction and transmittance at camera speed.

2007-11-01

[J. Microsc. 228(Pt 2) , 153-64, (2007)]

Mass spectral fragmentations of cholesterol acetate oxidation products.

2000-01-01

[Rapid Commun. Mass Spectrom. 14(14) , 1275-9, (2000)]

更多文献...