Investigation of NMR Shielding Tensors of Para-Sulfonato-calix 141 arene Complexation with some of Alkali metal atoms

محورهای موضوعی : Journal of Physical & Theoretical Chemistry

M. Sayadian ¹ , L. Pishkar ² , F. Mollaamin ³

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تاریخ دریافت : 1394/03/10 تاریخ پذیرش : 1394/03/10 تاریخ انتشار : 1390/08/10

کلید واژه: P-sulfonatocalix [4] arene, Guest, DFT, HF, NMR, Hydrogen bonding, Nanostructure, chemical shift,

چکیده مقاله :

Calixarenes are a readily available and important class of macrocycles in supramolecularchemistry. Calixarenes have generated considerable interest due to their basket shaped structureand as useful building blocks to synthesize selective receptors for the guest species, notably alkali,alkaline earth, lanthanide and transition metal cations. In this work studied on the complexingproperties of a para-sulfonato-calix [4] arene (C281424016S4) with alkali metal cations. Thecomplexation properties of para-sulfonato- calix [4] arene were studied by Hartree Fock method.The complexes showed different properties for the different cations, depending on the cations andthe position of the substituents grafted on the ligand.