scholarly journals Tuning the Geometric and Electronic Structure of Synthetic High-Valent Heme Iron(IV)-Oxo Models in the Presence of a Lewis Acid and Various Axial Ligands

2019 ◽  
Vol 141 (14) ◽  
pp. 5942-5960 ◽  
Author(s):  
Melanie A. Ehudin ◽  
Leland B. Gee ◽  
Sinan Sabuncu ◽  
Augustin Braun ◽  
Pierre Moënne-Loccoz ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Lewis Acid ◽  
Heme Iron ◽  
Axial Ligands ◽  
High Valent

Electronic structure and reactivity of a high valent non-heme iron-oxo intermediate

1993 ◽  
Vol 51 (1-2) ◽  
pp. 100
Author(s):  
Hiroshi Fujii ◽  
Randolph A. Leising ◽  
Yanhong Dong ◽  
Li-June Ming ◽  
Zhigang Wang ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Heme Iron ◽  
Non Heme Iron ◽  
High Valent

scholarly journals Fingerprinting Electronic Structure of Heme Iron by Ab Initio Modeling of Metal L-Edge X-ray Absorption Spectra

2018 ◽  
Vol 15 (1) ◽  
pp. 477-489 ◽  
Author(s):  
Meiyuan Guo ◽  
Erik Källman ◽  
Rahul V. Pinjari ◽  
Rafael C. Couto ◽  
Lasse Kragh Sørensen ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Ab Initio ◽  
Absorption Spectra ◽  
Heme Iron ◽  
X Ray ◽  
Ab Initio Modeling ◽  
X Ray Absorption

Carbon-13 NMR studies of the axial ligands orientation on haem electronic structure

1995 ◽  
Vol 59 (2-3) ◽  
pp. 480
Author(s):  
D.L. Turner ◽  
C.A. Salgueiro ◽  
P. Schenkels ◽  
J. LeGall ◽  
A.V. Xavier
Keyword(s):  
Electronic Structure ◽  
Nmr Studies ◽  
Axial Ligands

One electron reduction transforms high-valent low-spin cobalt alkylidene into high-spin cobalt(ii) carbene radical

2020 ◽  
Vol 56 (60) ◽  
pp. 8416-8419
Author(s):  
Amanda Grass ◽  
James A. Bellow ◽  
Gregory Morrison ◽  
Hans-Conrad zur Loye ◽  
Richard L. Lord ◽  
...  
Keyword(s):  
Electronic Structure ◽  
High Spin ◽  
Ligand Environment ◽  
Electron Reduction ◽  
High Valent

Synthesis, electronic structure, and reactivity of a novel Co(ii) carbene radical in the bis(alkoxide) ligand environment are reported.

Electronic Structure and Spatial Arrangement of C2v-Coordinated Ferric Iron in Metmyoglobin, Metmyoglobin Fluoride, and Methemoglobin

1975 ◽  
Vol 30 (11-12) ◽  
pp. 701-710 ◽  
Author(s):  
Hermann Eicher
Keyword(s):  
Electronic Structure ◽  
Ferric Iron ◽  
Far Infrared ◽  
Coulomb Repulsion ◽  
Spatial Arrangement ◽  
Ferric Ion ◽  
Axial Ligands ◽  
Electronic Term ◽  
Least Squares Fit ◽  
Out Of Plane

Abstract Electronic Structure, Metmyoglobin, Metmyoglobin Fluoride, Methemoglobin The electronic term scheme of ferric iron in metmyoglobin, metmyoglobin fluoride, and met­ hemoglobin is evaluated by a Hamiltonian which involves the Coulomb repulsion of the 3d electrons, their interaction with the C2v-coordinated ligands, and spin-orbit coupling. The adjustable parameters of the theory were determined by a least squares fit to experimental EPR, susceptibility, and far-infrared data reported in the literature. According to these results, the structural properties of the ferric ion and its neighboring ligands were discussed by means of group theoretical arguments: An increasing out of plane position of the ferric ion is found in the sequence metHb- metMb -MbF which corresponds to an increasing binding strength with the axial ligands.

ChemInform Abstract: Geometric and Electronic Structure/Function Correlations in Non-heme Iron Enzymes

ChemInform ◽  
2010 ◽  
Vol 31 (13) ◽  
pp. no-no
Author(s):  
Edward I. Solomon ◽  
Thomas C. Brunold ◽  
Mindy I. Davis ◽  
Jyllian N. Kemsley ◽  
Sang-Kyu Lee ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Structure Function ◽  
Heme Iron ◽  
Non Heme Iron ◽  
Iron Enzymes

Electronic Structure of N ‐Bridged High‐Valent Diiron‐Oxo

2019 ◽  
Vol 25 (54) ◽  
pp. 12491-12496 ◽  
Author(s):  
Quan Manh Phung ◽  
Kristine Pierloot
Keyword(s):  
Electronic Structure ◽  
High Valent

scholarly journals Geometric and Electronic Structure Contributions to Function in Non-heme Iron Enzymes

2013 ◽  
Vol 46 (11) ◽  
pp. 2725-2739 ◽  
Author(s):  
Edward I. Solomon ◽  
Kenneth M. Light ◽  
Lei V. Liu ◽  
Martin Srnec ◽  
Shaun D. Wong
Keyword(s):  
Electronic Structure ◽  
Heme Iron ◽  
Non Heme Iron ◽  
Iron Enzymes
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