Picometer Resolution Structure of the Coordination Sphere in the Metal-Binding Site in a Metalloprotein by NMR
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Upon reacting P4S3 with AgAl(hfip)4 and AgAl(pftb)4 [hfip = OC(H)(CF3)2; pftb = OC(CF3)3], the compds. Ag(P4S3)Al(hfip)4 (1) and Ag(P4S3)2+[Al(pftb)4]- (2) formed in CS2 or CS2/CH2Cl2 soln., resp. Compds. 1 and 2 were characterized by single-crystal x-ray ...
Prepn. of the title compd. (I) from starting materials CI4 and AgAl{OC(CF3)3}4 was performed with the complete exclusion of light and with carefully purified diiodine-free CI4, since CI4 decomps. within minutes in soln. in light with formation of I2 ...
tBu2PP:P(Me)tBu2 reacts with [Fe2(CO)9] to give [m-(1,2,3:4-h-tBu2PPPPtBu2){Fe(CO)3}{Fe(CO)4}] (I) and [trans-(tBu2MeP)2Fe(CO)3] (II). With [(h2-C8H14)2Fe(CO)3] in addn. to [m(1,2,3:4-h-tBu2PPPPtBu2){Fe(CO)2PMetBu2}{Fe(CO)4}] and II also [(m-PtBu2){m-P-Fe( ...
D. functional (DFT) studies and hybrid QM/MM-DFT calcns. demonstrate the importance of p-p stacking interactions in detg. the structural features of two exemplary d8 palladium complexes, PdBr(p-NCC6H4)({S}-MeO-Biphep), 1, and PdBr(C6F5)({S}-MeO-Biphep), 2. ...
Since the first facile synthesis of Ru(H2O)(6)(2) was published at the beginning of the eighties, several Ru-II aqueous inorganic and organometallic complexes were described, showing the increasing interest in this kind of compound due to potential ...
The reaction of the cluster complexes [Pt-3(mu -CO)(3)(PR3)(3)] (PR3 = PPh3 1, PPh(2)Bz 2, PCy3 3 and P(i)pr(3) 4) with dialkyl acetylenedicarboxylate, R'O2CC drop CCO2R' (R= CH3 or Bu-t) have been examined under various conditions. At low temperature the ...
The molecular complex [Re(equivalent toC(t)Bu)(=(CHBu)-Bu-t)((CH2Bu)-Bu-t)2] (1) reacts with a silica partially dehydroxylated at 700 degreesC to give syn-2, [(equivalent toSiO)Re(equivalent toC(t)Bu)(=(CHBu)-Bu-t)((CH2Bu)-Bu-t)], as a single isomer accord ...
Complexes of molecular LiF and LiFHF were synthesized using the metallamacrocyclic receptors (cymene)Ru-(C5H3NO2) (1), (CpRh)-Rh-*(C5H3NO2) (2), and (CpIr)-Ir-*(C5H3NO2) (3). LiBF4 complexes of 1-3 were prepared and subsequently treated with ...
The reactivity of (E)- and (Z)-1-fluorobuta-1,3-diene ((E)- and (Z)-11), 2-fluorobutadiene (12). (E)and (Z)-1-(fluoromethylidene)-2-methylidenecyclohexane ((E)- and (Z)-13) toward SO2 has been explored and compared with that of (Z)- and (E)-1-(fluoromethyl ...
We determined the structure of the hydrated Cu(II) complex by both neutron diffraction and first-principles molecular dynamics, In contrast with the generally accepted picture, which assumes an octahedrally solvated Cu(II) ion, our experimental and theoret ...
American Association for the Advancement of Science2001