Effect of Axial Ligand, Spin State, and Hydrogen Bonding on the Inner-Sphere Reorganization Energies of Functional Models of Cytochrome P450

2014 ◽  
Vol 53 (19) ◽  
pp. 10150-10158 ◽  
Author(s):  
Sabyasachi Bandyopadhyay ◽  
Atanu Rana ◽  
Kaustuv Mittra ◽  
Subhra Samanta ◽  
Kushal Sengupta ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Cytochrome P450 ◽  
Spin State ◽  
Axial Ligand ◽  
Functional Models ◽  
Inner Sphere ◽  
Reorganization Energies

Second sphere control of spin state: Differential tuning of axial ligand bonds in ferric porphyrin complexes by hydrogen bonding

2016 ◽  
Vol 155 ◽  
pp. 82-91 ◽  
Author(s):  
Kaustuv Mittra ◽  
Kushal Sengupta ◽  
Asmita Singha ◽  
Sabyasachi Bandyopadhyay ◽  
Sudipta Chatterjee ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Spin State ◽  
Axial Ligand ◽  
Differential Tuning

Drug metabolism, cytochrome P450 spin state, and phospholipid changes during pregnancy in the rat

1981 ◽  
Vol 30 (11) ◽  
pp. 1223-1225 ◽  
Author(s):  
R.G. Turcan ◽  
P.P. Tamburini ◽  
G.G. Gibson ◽  
D.V. Parke ◽  
A.M. Symons
Keyword(s):  
Cytochrome P450 ◽  
Drug Metabolism ◽  
Spin State

scholarly journals Stabilization of the Low-Spin State in a Mononuclear Iron(II) Complex and High-Temperature Cooperative Spin Crossover Mediated by Hydrogen Bonding

2015 ◽  
Vol 22 (1) ◽  
pp. 331-339 ◽  
Author(s):  
Sipeng Zheng ◽  
Niels R. M. Reintjens ◽  
Maxime A. Siegler ◽  
Olivier Roubeau ◽  
Elisabeth Bouwman ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
High Temperature ◽  
Spin State ◽  
Spin Crossover ◽  
Mononuclear Iron

scholarly journals Crystal structure of chlorido(5,10,15,20-tetraphenylporphyrinato-κ4N)manganese(III) 2-aminopyridine disolvate

2015 ◽  
Vol 71 (2) ◽  
pp. 165-167 ◽  
Author(s):  
Wafa Harhouri ◽  
Salma Dhifaoui ◽  
Shabir Najmudin ◽  
Cecilia Bonifácio ◽  
Habib Nasri
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Axial Ligand ◽  
Pyramidal Geometry ◽  
Porphyrin Macrocycle ◽  
Planar Conformation ◽  
Solvent Molecules ◽  
Square Pyramidal Geometry

In the title compound, [Mn(C44H28N4)Cl]·2C5H6N2, the MnIIIcentre is coordinated by four pyrrole N atoms [averaged Mn—N = 2.012 (4) Å] of the tetraphenylporphyrin molecule and one chloride axial ligand [Mn—Cl = 2.4315 (7) Å] in a square-pyramidal geometry. The porphyrin macrocycle exhibits a non-planar conformation with majorrufflingandsaddlingdistortions. In the crystal, two independent solvent molecules form dimers through N—H...N hydrogen bonding. In these dimers, one amino N atom has a short Mn...N contact of 2.642 (1) Å thus completing the Mn environment in the form of a distorted octahedron, and another amino atom generates weak N—H...Cl hydrogen bonds, which link further all molecules into chains along theaaxis.

Inner-Sphere Electron-Transfer Reorganization Energies of Zinc Porphyrins

2004 ◽  
Vol 126 (47) ◽  
pp. 15566-15571 ◽  
Author(s):  
Xenia Amashukeli ◽  
Nadine E. Gruhn ◽  
Dennis L. Lichtenberger ◽  
Jay R. Winkler ◽  
Harry B. Gray
Keyword(s):  
Electron Transfer ◽  
Inner Sphere ◽  
Zinc Porphyrins ◽  
Reorganization Energies
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