Cation–π versus anion–π interactions: A theoretical NMR study

作者: Ali Ebrahimi , Mostafa Habibi Khorassani , Hamid Reza Masoodi

DOI: 10.1016/J.CPLETT.2011.01.067

关键词:

摘要: Abstract The influences of cation–π and anion–π interactions on NMR data have been investigated in complexes cations anions with 1,3,5-trifluorobenzene (TFB). Cation–π interaction increases 1 J C–F , C–H the chemical shifts hydrogen fluorine while it decreases C–C . changes are reverse direction presence interaction. role geometry electronic effects was considered. distance dependence parameters has studied these complexes. isoelectronic

参考文章(44)
Jennifer C. Ma, Dennis A. Dougherty, The Cationminus signpi Interaction. Chemical Reviews. ,vol. 97, pp. 1303- 1324 ,(1997) , 10.1021/CR9603744
Anatoly K. Yatsimirsky, Hans-Jörg Schneider, Principles and Methods in Supramolecular Chemistry ,(2000)
F Richard, R Bader, Atoms in molecules : a quantum theory Clarendon Press. ,(1990)
James R Vyvyan, Donald L. Pavia, Gary M. Lampman, George S. Kriz, Introduction to spectroscopy Cengage Learning. pp. 1- ,(2015)
Richard D. Wigglesworth, William T. Raynes, Sheela Kirpekar, J. Oddershede, Stephan P. A. Sauer, Nuclear spin–spin coupling in the acetylene isotopomers calculated from ab initio correlated surfaces for 1J(C, H), 1J(C, C), 2J(C, H), and 3J(H, H) Journal of Chemical Physics. ,vol. 112, pp. 3735- 3746 ,(2000) , 10.1063/1.480525
Eric S. Meadows, Stephen L. De Wall, Leonard J. Barbour, George W. Gokel, Alkali Metal Cation−π Interactions Observed by Using a Lariat Ether Model System Journal of the American Chemical Society. ,vol. 123, pp. 3092- 3107 ,(2001) , 10.1021/JA003059E
Tatyana I. Igumenova, Kendra King Frederick, A. Joshua Wand, Characterization of the fast dynamics of protein amino acid side chains using NMR relaxation in solution. Chemical Reviews. ,vol. 106, pp. 1672- 1699 ,(2006) , 10.1021/CR040422H
Carolina Garau, Antonio Frontera, David Quiñonero, Pau Ballester, Antonio Costa, Pere M Deyà, Cation-π versus anion-π interactions: a comparative ab initio study based on energetic, electron charge density and aromatic features Chemical Physics Letters. ,vol. 392, pp. 85- 89 ,(2004) , 10.1016/J.CPLETT.2004.05.049