Structure elucidation of dicarboxylate complex of SnIV porphyrin with a ring current effect model
Tetrahedron Volume 62 Issue 12
Page 2789-2798
published_at 2006-03-20
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| File | |
| Title ( eng ) |
Structure elucidation of dicarboxylate complex of SnIV porphyrin with a ring current effect model
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| Creator |
Iwamoto Hajime
Hori Kenji
Fukazawa Yoshimasa
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| Source Title |
Tetrahedron
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| Volume | 62 |
| Issue | 12 |
| Start Page | 2789 |
| End Page | 2798 |
| Abstract |
A 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(IV)(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.
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| Keywords |
Conformation analysis
Density functional calculation
Porphyrin ring current
Structure elucidation
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| NDC |
Chemistry [ 430 ]
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| Language |
eng
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| Resource Type | journal article |
| Publisher |
Elsevier
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| Date of Issued | 2006-03-20 |
| Rights |
Copyright (c) 2006 Elsevier Ltd.
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| Publish Type | Author’s Original |
| Access Rights | open access |
| Source Identifier |
[ISSN] 0040-4020
[DOI] 10.1016/j.tet.2006.01.020
[NCID] AA00861787
[DOI] http://dx.doi.org/10.1016/j.tet.2006.01.020
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