Study of complexation between two 1,3-alternate calix[4]crown derivatives and alkali metal ions by electrospray ionization mass spectrometry and density functional theory calculations
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- 作者：Mojtaba Shamsipura ; mshamsipur@yahoo.com" class="auth_mail" title="E-mail the corresponding author ; Leila Allahyarib ; Javad Fasihic ; fasihij@yahoo.com" class="auth_mail" title="E-mail the corresponding author ; Avat (Arman) Taherpoura ; Zuhair Asfarid ; Azizollah Valinejade
- 关键词：1 ; 3-Alternate calix[4]crowns ; Alkali metal ions ; Host&ndash ; guest complextion ; Electrospray ionization mass spectrometry ; Theoretical calculations
- 刊名：Journal of Molecular Structure
- 出版年：2016
- 出版时间：15 March 2016
- 年：2016
- 卷：1108
- 期：Complete
- 页码：16-24
- 全文大小：2216 K
文摘
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Complexation studies of two 1,3-alternate calix[4]crown ligands with alkali metal ions.
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Use of electrospray ionization mass spectrometry for experimental studies.
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Use of density functional theory calculations for the structural elucidations.
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Experimental and theoretical selectivity order of K+ > Rb+ > Cs+ for complexation of both calix[4]crowns.