Reported are complexes of the formula Fe(dithiolate)(CO)2(diphos) and their use to prepare homo- and heterobimetallic dithiolato derivatives. The starting iron dithiolates were prepared by a one-pot reaction of FeCl2 and CO with chelating diphosphines and dithiolates, where dithiolate = S2(CH2)22- (edt2-), S2(CH2)32- (pdt2-), S2(CH2)2(C(CH3)2)2- (Me2pdt2-) and diphos = cis-C2H2(PPh2)2 (dppv), C...

Molecular dynamics simulations were used for a comprehensive study of the structural properties of saturated lipid bilayers, DPPC and DPPE, near the main phase transition. Though the chemical structure of DPPC and DPPE are largely similar (they only differ in the choline and ethanolamine groups), their transformation process from a gel to a liquid-crystalline state is contrasting. For DPPC, thr...

The reaction of Fe(C≡CC≡N)(dppe)Cp (1) with one-half equivalent of [trans-Fe(N≡CMe)2(dppx)2][BF4]2 (dppx = dppe ([2][BF4]2) or dppm ([3][BF4]2)) affords trimetallic [trans-Fe{N≡CC≡CFe(dppe)Cp}2(dppx)2][BF4]2 (dppx = dppe [4][BF4]2; dppx = dppm [5][BF4]2). Both [4][BF4]2 and [5][BF4]2 undergo three, one-electron oxidation processes, arising from sequential oxidation of the two terminal Fe(C≡CR)(...

Treatment of a dichloromethane solution of trans-[Mo(NCN){NCNC(O)R}(dppe)(2)]Cl [R = Me (1a), Et (1b)] (dppe = Ph(2)PCH(2)CH(2)PPh(2)) with HBF(4), [Et(3)O][BF(4)] or EtC(O)Cl gives trans-[Mo(NCN)Cl(dppe)(2)]X [X = BF(4) (2a) or Cl (2b)] and the corresponding acylcyanamides NCN(R')C(O)Et (R' = H, Et or C(O)Et). X-ray diffraction analysis of 2a (X = BF(4)) reveals a multiple-bond coordination of...

Rhodium(I) complexes of the hybrid ylide-phosphine ligands, Ph2P(CH2)nPPh2(CHC(O)C6H5) (n = 1: dppm-yl, or 2: dppe-yl) have been synthesised from [Rh(μ-Cl)(COD)]2 (COD = 1,5-cyclooctadiene) and characterized by NMR spectroscopic and X-ray structural methods. The dppe-yl behaves as an ambidentate ligand; it functions as a monodentate P-donor ligand with a dangling ylidic carbon in the neutral ch...

A Re(IV) cluster complex [Re(3)(μ(3)-S)(μ-S)(3)(dppe)(3)Br(3)](+) with nine cluster skeletal electrons (CSE) and a quadruplet ground state has been prepared by treatment of [Re(3)S(7)Br(6)]Br with 1,2-bis(diphenylphosphino)ethane (dppe) in MeCN.

The centrosymmetric title complex, [μ-ethane-1,2-diylbis(di-phenyl-phosphane)-κ2P:P']bis-[penta-carbonyl-tungsten(0)], [W2(C26H24P2)(CO)10], consists of two W(CO)5 moieties bridged by a bis-(di-phenyl-phosphan-yl)ethane (dppe) ligand. The W0 atom has a slightly distorted octa-hedral coordination environment consisting of 5 carbonyl ligands and one P atom from the bridging dppe ligand with the n...

Dinitrogen complex cis-[W(N2)2(PMe2Ph)4] reacts with an excess of acidic dihydrogen complexes such as trans-[RuCl(η-H2)(dppe)2]BF4 (dppe = 1, 2-bis(diphenylphosphino)ethane) at 55 °C under 1 atm of H2 to form ammonia in moderate yield. The reaction is presumed to proceed through nucleophilic attack of the remote nitrogen of the coordinated dinitrogen on the dihydrogen ligand. The coordinated di...

Computer simulations of the spontaneous self-assembly of phospholipid vesicles (liposomes) have found a bicelle intermediate which curls up into a vesicle. Although coarse-grained (or intermediate-resolution) molecular dynamics simulation studies have been conducted at intermediate (323 K) to high (360 K) temperatures, it is unclear if there exists an ‘optimal’ temperature that accelerates the ...