New unsymmetrically substituted triazacyclohexanes: Synthesis, characterisation, antimicrobial properties and DFT study

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• 作者：Mahmoud Chebbah^a ; ^b ; Amel Messai^c ; Duygu Bilge^d ; Ahcen Bouchemma^a ; ^b ; Cemal Parlak^d ; ^{cemal.parlak@ege.edu.tr}
• 关键词：Triazacyclohexanes ; Conformational analysis ; Antimicrobial properties ; DFT
• 刊名：Journal of Molecular Structure
• 出版年：2017
• 出版时间：5 February 2017
• 年：2017
• 卷：1129
• 期：Complete
• 页码：152-159
• 全文大小：1456 K
• 卷排序：1129

文摘

New unsymmetrically substituted triazacyclohexanes. Compounds crystallize in monoclinic (1a, 3a) and orthorhombic (2a) lattice systems. Compounds prefer eaa chair conformation. Calculations were performed by B3LYP functional and 6-31G(d) basis set. Anti-bacterial and anti-fungal properties of the compounds.