Structure elucidation of dicarboxylate complex of SnIV porphyrin with a ring current effect model

TETRAHEDRON

卷:62

Article

Iwamoto, H ; Hori, K ; Fukazawa, Y

关键词: conformation analysis;    density functional calculation;    porphyrin ring current;    structure elucidation;   

DOI  :  10.1016/j.tet.2006.01.020

来源: Elsevier

【 摘 要 】

new simple model of porphyrin ring current effect was proposed based on a line current approximation. It can reproduce the porphyrin-induced shifts for several Sn(IV)(tpp) and Sn(IV)(oep) dicarboxylate complexes quite satisfactorily. Perpendicular arrangement of the aromatic rings in the diaromatic-carboxylate complexes of Sn(TV)(tpp) and Sn(IV)(oep) was clarified with this porphyrin ring current effect model. There are two structures, exo and endo, in solution in dinaphthalene-1- and 2-carboxylate complexes of Sn(IV)(tpp) and Sn(IV)(oep). The exo conformer is in dynamic equilibrium with the endo form in solution. Thermodynamic data of these conformational equilibria are given. (c) 2006 Elsevier Ltd. All rights reserved.

【 授权许可】

Free