Iron-sulfur bond lengths in ferrous-carbonyl heme complexes as a function of sulfur donor type

1986 ◽  
Vol 25 (23) ◽  
pp. 4307-4309 ◽  
Author(s):  
Lung Shan Kau ◽  
Edmund W. Svastits ◽  
John H. Dawson ◽  
Keith O. Hodgson
ChemInform ◽  
1987 ◽  
Vol 18 (11) ◽  
Author(s):  
L.-S. KAU ◽  
E. W. SVASTITS ◽  
J. H. DAWSON ◽  
K. O. HODGSON

2020 ◽  
Vol 11 (23) ◽  
pp. 6036-6044
Author(s):  
Maximilian Scheurer ◽  
Andreas Dreuw ◽  
Martin Head-Gordon ◽  
Tim Stauch

Using steered molecular dynamics simulations and strain analysis it is shown that, in contrast to previous assumptions, the experimentally found low rupture force of the iron–sulfur-bond in rubredoxin cannot be explained by hydrogen bond networks.


1996 ◽  
Vol 51 (7) ◽  
pp. 1040-1048 ◽  
Author(s):  
M. Harmjanz ◽  
C. Junghans ◽  
U.-A. Opitz ◽  
B. Bahlmann ◽  
S. Pohl

The reaction of [Fe(NiSiMe3)2)2] with thiols RSH, elemental sulfur, and neutral ligands L (with sulfur donor atoms, e. g. thiourea derivatives) gives [Fe4S4(SR)2L2] clusters in high yields. The structure of [Fe4S4(2.4.6-(C3H7)3C6H2-S)2(dpdmi)2] (dpdmi: diisopropyldimethyl- imidazolthion) was determined by X-ray crystallography.When [Fe4S4I4]2- is reacted with a large excess of PMePh2 or PMe2Ph [F6S6I2(PMePh2)4] and [Fe6S6l2(PMe2Ph)4]. respectively, are obtained in nearly quantitative yield. Basket-like structures of the [Fe6S6]2+ cores were detected by X-ray structure analysis. While [Fe4S4(SR)4]2- clusters do not react with phosphanes at ambient temperature 2:2 functional­ized species like [Fe4S4(SR)2(tmtu)2] lead to basket-type clusters [Fe6S6(SR)2(PR3)4].


1982 ◽  
Vol 104 (20) ◽  
pp. 5469-5472 ◽  
Author(s):  
P. M. Champion ◽  
B. R. Stallard ◽  
G. C. Wagner ◽  
I. C. Gunsalus

1999 ◽  
Vol 103 (33) ◽  
pp. 7031-7035 ◽  
Author(s):  
Carme Rovira ◽  
Paolo Carloni ◽  
Michele Parrinello
Keyword(s):  

1987 ◽  
Vol 26 (12) ◽  
pp. 1978-1981 ◽  
Author(s):  
Norikazu Ueyama ◽  
Takashi Sugawara ◽  
Kazuyuki Tatsumi ◽  
Akira Nakamura

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