ZrOCl2.8H(2)O on montmorillonite K10: an efficient green catalyst for One-pot synthesis of highly substituted imidazoles under Solvent-Free Conditions: DFT Computational investigation

被引：0

作者：

Movahedpour, Ahmad ^{[1
,2
]}

Amani, Ali Mohammad ^{[1
,2
,3
]}

Savardashtaki, Amir ^{[4
]}

Mostaanzadeh, Hossein ^{[5
]}

Honarmand, Ebrahim ^{[5
]}

机构：

[1] Shiraz Univ Med Sci, Pharmaceut Sci Res Ctr, Shiraz, Iran

[2] Shiraz Univ Med Sci, Sch Adv Med Sci & Technol, Dept Med Nanotechnol, Shiraz, Iran

[3] Shiraz Univ Technol Shiraz, Dept Chem, Shiraz, Iran

[4] Shiraz Univ Med Sci, Sch Adv Med Sci & Technol, Dept Med Biotechnol, Shiraz, Iran

[5] Univ Qom, Dept Chem, Fac Sci, Qom, Iran

来源：

INTERNATIONAL JOURNAL OF ADVANCED BIOTECHNOLOGY AND RESEARCH | 2016年 / 7卷 / 04期

关键词：

DFT; imidazole derivatives; vibrationalfrequency; ZrOCl2.8H(2)O/montmorillonite K10; Four-component reaction; One-pot synthesis;

D O I：

暂无

中图分类号：

Q81 [生物工程学（生物技术）]; Q93 [微生物学];

学科分类号：

071005 ; 0836 ; 090102 ; 100705 ;

摘要：

ZrOCl2.8H(2)O/K10 has been found to be an extremely efficient catalyst for the preparation of synthesis of 2,4,5-trisubstituted and 1,2,4,5-tetra substituted imidazoles in excellent yields. This catalystexhibited remarkable catalytic activity with respect to the reaction time (2-3min), amount of catalyst. Present protocol using ZrOCl2.8H(2)O/K10 as catalyst is convincingly superior to the recently reported methodologies. Density functional theory (DFT) method and B3LYP/6-31G(d,p) level of theory were used to determine some parameters such as vibrational modes, dipole moment (mu), E-HOMO, E-LUMO and gap energy (Delta E) of compounds.

引用

页码：1773 / 1784

页数：12

共 67 条

[51]

Murry JA, 2003, CURR OPIN DRUG DISC, V6, P945

[52] Potassium dodecatugstocobaltate trihydrate (K5CoW12O40•3H2O):: A mild and efficient reusable catalyst for the one-pot synthesis of 1,2,4,5-tetrasubstituted imidazoles under conventional heating and microwave irradiation [J].