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The nature of interactions between [Cu2Cl3]--based ionic liquid and thiophene - A theoretical study
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نویسنده
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lü r. ,liu d. ,lu y. ,wang s.
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منبع
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journal of saudi chemical society - 2016 - دوره : 20 - شماره : 3 - صفحه:303 -306
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چکیده
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In an effort to deepen the understanding of nature of interactions between cucl-based ionic liquids and thiophene,the electronic and topological properties of interactions between 1-butyl-3-methylimidazolium ([bmim]+[cu2cl3]-) and thiophene (ts) have been investigated by the density functional theory. the occurrence of interactions caused by resonance effects between virtual orbitals of cu and virtual orbitals of thiophene has been corroborated at the molecular level. © 2013.
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کلیدواژه
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Density functional theory; Ionic liquid; Thiophene; [Cu2Cl3]-
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آدرس
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department of chemistry,college of science,china university of petroleum (east china),qingdao, China, college of chemical engineering,china university of petroleum (east china),qingdao, China, department of chemistry,college of science,china university of petroleum (east china),qingdao, China, department of chemistry,college of science,china university of petroleum (east china),qingdao, China
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Authors
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