ON THE ROLE OF HYDROGEN-BONDS IN THIOUREA CONDENSATES - THE CORRELATION OF A QUANTUM-CHEMICAL APPROACH WITH THE EXPERIMENTAL RESULTS

被引：15
|
作者：
ROMANOWSKI, S [1 ]
PIETRZAK, TM [1 ]
SKOMPSKA, M [1 ]
JURKIEWICZHERBICH, M [1 ]
JASTRZEBSKA, J [1 ]
机构：
[1] UNIV WARSAW,DEPT CHEM,PL-02093 WARSAW,POLAND
来源：
JOURNAL OF ELECTROANALYTICAL CHEMISTRY | 1993年 / 345卷 / 1-2期
关键词：
D O I：
10.1016/0022-0728(93)80470-3
中图分类号：
O65 [分析化学];
学科分类号：
070302 ; 081704 ;
摘要：
The semi-empirical quantum-chemical method PCILO 3 was used to estimate the directions, lengths and energies of the intermolecular hydrogen bonds between thiourea (TU) molecules in selected TU-solvent-TU, TU-anion-TU and TU-TU-TU clusters. The results obtained for the hydrogen bond energies support the sequence TU + H2O < TU + EtOH < TU + CH3CN and TU + NO3- < TU + ClO4- < TU + F- of increasing stability of thiourea condensates, established by electrochemical studies at the mercury/solution interface.
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页码：83 / 91
页数：9
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