The environment of Fe4S4 clusters in ferredoxins and high-potential iron proteins. New information from x-ray crystallography and resonance Raman spectroscopy

1991 ◽  
Vol 113 (6) ◽  
pp. 2055-2064 ◽  
Author(s):  
Gabriele Backes ◽  
Yoshiki Mino ◽  
Thomas M. Loehr ◽  
Terrence E. Meyer ◽  
Michael A. Cusanovich ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Resonance Raman Spectroscopy ◽  
Resonance Raman ◽  
High Potential ◽  
X Ray ◽  
Iron Proteins ◽  
X Ray Crystallography ◽  
New Information

scholarly journals Protein Dynamics in an Intermediate State of Myoglobin: Optical Absorption, Resonance Raman Spectroscopy, and X-Ray Structure Analysis

2000 ◽  
Vol 78 (4) ◽  
pp. 2081-2092 ◽  
Author(s):  
Niklas Engler ◽  
Andreas Ostermann ◽  
Alexandra Gassmann ◽  
Don C. Lamb ◽  
Valeri E. Prusakov ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Optical Absorption ◽  
Protein Dynamics ◽  
Structure Analysis ◽  
Intermediate State ◽  
Resonance Raman Spectroscopy ◽  
Resonance Raman ◽  
X Ray ◽  
Absorption Resonance

Electronic Structure of Ni Complexes by X-ray Resonance Raman Spectroscopy (Resonant Inelastic X-ray Scattering)

2002 ◽  
Vol 124 (33) ◽  
pp. 9668-9669 ◽  
Author(s):  
Pieter Glatzel ◽  
Uwe Bergmann ◽  
Weiwei Gu ◽  
Hongxin Wang ◽  
Sergey Stepanov ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Electronic Structure ◽  
Resonance Raman Spectroscopy ◽  
Resonance Raman ◽  
X Ray ◽  
X Ray Scattering ◽  
Ray Scattering

X-ray absorption and resonance raman spectroscopy of human myeloperoxidase at neutral and acid pH

1997 ◽  
Vol 1338 (2) ◽  
pp. 282-294 ◽  
Author(s):  
K.T Yue ◽  
K.L Taylor ◽  
J.M Kinkade ◽  
R.B Sinclair ◽  
L.S Powers
Keyword(s):  
Raman Spectroscopy ◽  
Resonance Raman Spectroscopy ◽  
Resonance Raman ◽  
X Ray ◽  
Acid Ph ◽  
X Ray Absorption

X-ray absorption study of octafluorodirhenate(III): EXAFS structures and resonance Raman spectroscopy of octahalodirhenates

1988 ◽  
Vol 110 (4) ◽  
pp. 1309-1311 ◽  
Author(s):  
Steven D. Conradson ◽  
Alfred P. Sattelberger ◽  
William H. Woodruff
Keyword(s):  
Raman Spectroscopy ◽  
Resonance Raman Spectroscopy ◽  
Resonance Raman ◽  
Absorption Study ◽  
X Ray ◽  
X Ray Absorption

scholarly journals Two-dimensional stimulated resonance Raman spectroscopy of molecules with broadband x-ray pulses

2012 ◽  
Vol 136 (17) ◽  
pp. 174117 ◽  
Author(s):  
Jason D. Biggs ◽  
Yu Zhang ◽  
Daniel Healion ◽  
Shaul Mukamel
Keyword(s):  
Raman Spectroscopy ◽  
Resonance Raman Spectroscopy ◽  
Resonance Raman ◽  
Two Dimensional ◽  
X Ray

Steric bulkiness of pyrrole substituents and the out-of-plane deformations of porphyrins: nickel(II) octaisopropylporphyrin and its meso-nitro derivative

2011 ◽  
Vol 15 (07n08) ◽  
pp. 727-741 ◽  
Author(s):  
Raid Haddad ◽  
Yi Lu ◽  
J. Martin E. Quirke ◽  
Patrick Berget ◽  
Lisong Sun ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Density Functional ◽  
Resonance Raman Spectroscopy ◽  
Resonance Raman ◽  
Molecular Simulations ◽  
Structural Heterogeneity ◽  
Steric Repulsion ◽  
X Ray ◽  
X Ray Crystallography ◽  
Out Of Plane

Sterically bulky substituents at the β-carbons of the pyrrole rings of porphyrins are sufficient to cause large out-of-plane porphyrin distortions even in the absence of substituent groups at the meso carbons. It is well established that substituents at the meso-positions only or at both the β-pyrrole and the meso-positions are sufficiently bulky to result in large non-planar distortions of the macrocycle. However, no systematic studies of the effects of bulky β-pyrrole substituents alone have been reported. Herein, molecular simulations and X-ray crystallography of nickel(II) 2,3,7,8,12,13,17,18-octa(isopropyl)porphyrin reveal that large out-of-plane distortions (>1.5 Å) are induced by the steric repulsion of the β-isopropyl groups but fail to lead to a single strongly energetically favored conformer. The molecular simulations indicate that multiple conformers differing in the orientation of the isopropyl groups and the macrocycle conformation coexist in solution and this is confirmed by resonance Raman spectroscopy. Large downshifts in the structure-sensitive lines result from the non-planar distortion, and line broadenings result from structural heterogeneity. The heterogeneity originates from tradeoffs between energy contributions from steric repulsion and macrocycle distortion. Simulations for 5-nitro-2,3,7,8,12,13,17,18-octa(isopropyl)porphyrin suggest two possible orientations of the nitro group with respect to the macrocycle mean plane — one nearly vertical (as in the crystal structure) and another that is nearly parallel. INDO/S semiempirical calculations indicate an orbital of the NO2 group resides between the porphyrin frontier orbitals with significant mixing of the nitro and porphyrin orbitals.KEYWORDS: porphyrin, non-planar, resonance Raman, X-ray crystallography, crystal structure, isopropyl, nitro, conformer, molecular mechanics, molecular simulations, density functional theory, steric crowding, conformational heterogeneity.

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