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新型4价离子型穴醚与一些客体的络合及理论模拟
引用本文:周其忠,钟爱国,陈华奇,蒋华江,陈仁尔,顾海宁.新型4价离子型穴醚与一些客体的络合及理论模拟[J].浙江大学学报(理学版),2011(6):657-662.
作者姓名:周其忠  钟爱国  陈华奇  蒋华江  陈仁尔  顾海宁
作者单位:台州学院化学系;浙江大学化学系;
基金项目:国家自然科学基金资助项目(21172166); 浙江省自然科学基金资助项目(Y4100783); 浙江省科技计划项目(28008C31018); 国家科技支撑计划项目(2007BA134B05)
摘    要:用冠醚与类双百草枯合成了新型的4价离子型穴醚,并且初步研究了它与3个客体的络合.4价离子型穴醚与百草枯的络合作用明显.4价离子型穴醚对3个客体有选择性识别作用.分子力学模拟结果也支持了以上结论.

关 键 词:穴醚  准轮烷  百草枯  选择性识别  模拟

Complexation of a novel tetracationic cryptand with some guests and theoretical modeling
ZHOU Qi-zhong,ZHONG Ai-guo,CHEN Hua-qi,JIANG Hua-jiang,CHEN Ren-er,GU Hai-ning.Complexation of a novel tetracationic cryptand with some guests and theoretical modeling[J].Journal of Zhejiang University(Sciences Edition),2011(6):657-662.
Authors:ZHOU Qi-zhong  ZHONG Ai-guo  CHEN Hua-qi  JIANG Hua-jiang  CHEN Ren-er  GU Hai-ning
Institution:ZHOU Qi-zhong1,ZHONG Ai-guo1,CHEN Hua-qi1,JIANG Hua-jiang1,CHEN Ren-er1,GU Hai-ning2,(1.Department of Chemistry,Taizhou University,Taizhou 317000,Zhejiang Province,China,2.Department of Chemistry,Zhejiang University,Hangzhou 310028,China)
Abstract:A novel tetracationic cryptand combining crown ether and bisparaquat was synthesized.Its complexation with three guests using proton NMR was also reported.The tetracationic cryptand showed selective recognition on three guests.Its theoretical modeling between the cryptand and three guests was reported.The proton NMR experiments were relevant to the theoretical modeling.
Keywords:cryptand  pseudorotaxane  paraquat  selective recognition  modeling  
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