Issue 10, 2005
From the journal:

Chemical Communications

An unexpected bonding interaction between dxy and a1u orbitals mediated by porphyrin deformation

Ru-Jen Cheng,*a   Yen-Ku Wang,a   Ping-Yu Chen,a   Ya-Ping Hana  and  Chih-Ching Changa  

* Corresponding authors

a Department of Chemistry, National Chung-Hsing University, Taichung, Taiwan 402, Republic of China
E-mail: rjcheng@mail.nchu.edu.tw
Fax: 886-4-22862547
Tel: 886-4-22871190

Abstract

Through density functional calculation and NMR spectroscopy, an unusual intermediate-spin electronic structure (dxzdyz)3(dxy)1(dz2)1 has been assigned to the six-coordinate saddled [Fe(OETPP)(THF)2]+ complex instead of the corresponding ruffled [Fe(TiPrP)(THF)2]+ complex.

Graphical abstract: An unexpected bonding interaction between dxy and a1u orbitals mediated by porphyrin deformation

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Article information

DOI
https://doi.org/10.1039/B416023C
Article type
Communication
Submitted
15 Oct 2004
Accepted
26 Nov 2004
First published
21 Jan 2005

Chem. Commun., 2005, 1312-1314

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An unexpected bonding interaction between dxy and a1u orbitals mediated by porphyrin deformation

R. Cheng, Y. Wang, P. Chen, Y. Han and C. Chang, Chem. Commun., 2005, 1312 DOI: 10.1039/B416023C

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