Halide Ligated Iron Porphines: A DFT+U and UB3LYP Study-Reference-Cited by-同舟云学术

Halide Ligated Iron Porphines: A DFT+U and UB3LYP Study

Published:2010-12-02 Issue:51 Volume:114 Page:13381-13387
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Panchmatia Pooja M.¹,Ali Md. Ehesan¹,Sanyal Biplab¹,Oppeneer Peter M.¹

Affiliation:

1. Department of Physics and Astronomy, Uppsala University, Box 516, S-751 20 Uppsala, Sweden, Department of Chemistry, University of Bath, Bath, BA2 7AY, U.K., and Theoretische Chemie, Ruhr-Universität, Bochum, D-44780, Bochum, Germany

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp106358m

Reference47 articles.

1. Electronic Configuration Assignment and the Importance of Low-Lying Excited States in High-Spin Imidazole-Ligated Iron(II) Porphyrinates

2. Paramagnetic anisotropy, average magnetic susceptibility, and electronic structure of intermediate-spin S = 1 (5,10,15,20-tetraphenylporphyrin)iron(II)

3. Identification of high-valent fluoroiron porphyrin intermediates associated with the electrocatalytic functionalization of hydrocarbons

4. Proton magnetic resonance characterization of the intermediate (S=1) spin state of ferrous porphyrins

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