UNIVERSAL AND SPECIFIC INTERACTIONS IN CAFFEINE DILUTED SOLUTIONS

被引：0

作者：

Oanca, Gabriel ^{[1
]}

Creanga, Dorina ^{[1
]}

Nadejde, Claudia ^{[1
]}

Dorohoi, Dana Ortansa ^{[1
]}

机构：

[1] Alexandru Ioan Cuza Univ, Fac Phys, 11 Carol 1 Blvd, Iasi 700506, Romania

来源：

REVUE ROUMAINE DE CHIMIE | 2015年 / 60卷 / 11-12期

关键词：

dipolar molecules; McRae's theory; Kamlet-Taft approach; weak hydrogen bond; ELECTRONIC-ABSORPTION-SPECTRA; INTERMOLECULAR INTERACTIONS; DIPOLE-MOMENTS;

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

This paper is focused on the interactions developed in caffeine solutions with different polarity solvents in order to identify universal type interactions as well as specific ones. The numerical analysis of spectral data was performed by multiple linear regression algorithms considering the spectral shift of electronic absorption bands recorded in caffeine solutions and various functions of solvent parameters. The study revealed the contribution of both universal (dipole-dipole orientation forces and dispersive ones) as well as the contribution of hydrogen bond formation. Solvent box approach applied by means of quantum chemical calculation confirmed the role of hydrogen bonds in protic solvent solutions of caffeine.

引用

页码：1073 / 1077

页数：5

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