Two benzothiadiazole derivatives annulated with 2-(1,3-dithiol-2-ylidene)malonitrile in the 4,5-position were prepared by a one-step procedure, and investigated as end-groups non-fullerene acceptors for indoor photovoltaic applications.

The title compound, C(16)H(17)NOS(2), consists of a carbazole skeleton with tetra-hydro-furan and dithiol-ane rings. In the indole ring system, the benzene and pyrrole rings are nearly coplanar, forming a dihedral angle of 1.57 (15)°. The cyclo-hexenone and tetra-hydro-furan rings have envelope conformations, while the dithiol-ane ring adopts a twist conformation. In the crystal structure, pair...

The title compound, [Fe4(C10H15)2(C8H10O4S2)2S4], contains a twisted Fe4S4 cubane-like core. A twofold rotation axis passes through the Fe4S4 core, completing the coordination of the four Fe atoms with two penta-methyl-cyclo-penta-dienyl ligands and two chelating dithiol-ate ligands. There are three short Fe-Fe and three long Fe⋯Fe contacts in the Fe4S4 core, suggesting bonding and non-bonding ...

In the title compound, [Fe(2)(C(4)H(2)N(2)S(2))(C(3)H(9)P)(CO)(5)], the Fe(2)S(2) core adopts a butterfly conformation. The PMe(3) ligand is coordinated in the basal position, roughly cis to the Fe-Fe bond. The Fe-Fe distance of 2.4970 (6) Å is relatively short compared to those (ca 2.53 Å) found in another monosubstituted diiron compound. A rigid planar dithiol-ate bridge is featured, with an ...

The title compound, C16H17NOS2, consists of a carbazole skeleton with methyl and dithiol-ane groups as substituents. In the indole ring system, the benzene and pyrrole rings are nearly coplanar, forming a dihedral angle of 1.02 (11)°. The cyclo-hexenone ring has a twisted conformation, while the dithiol-ane ring adopts an envelope conformation with one of the CH2 C atoms at the flap. In the cry...

Gold-molecule-gold junctions can be formed by carefully breaking a gold wire in a solution containing dithiolated molecules. Surprisingly, there is little understanding on the mechanical details of the bridge formation process and specifically on the role that the dithiol molecules play themselves. We propose that alkanedithiol molecules have already formed bridges between the gold electrodes b...

Synthesis of ultrafine noble metal with sizes down to nanoscale and even atomic scale is great significance for heterogeneous catalysis. However, the loading usually kept below 2 wt% due aggregation tendency at higher contents. Herein, by mimicking multicentered sulfur cluster metalloenzyme, a bioinspired synthesis isolated atoms on metal-organic sulfide (MOS) framework was reported. The sulfur...

It is often assumed that the hydrogen atoms in the thiol groups of a benzene-1,4-dithiol dissociate when Au-benzene-1,4-dithiol-Au junctions are formed. We demonstrate, by stability and transport property calculations, that this assumption cannot be made. We show that the dissociative adsorption of methanethiol and benzene-1,4-dithiol molecules on a flat Au(111) surface is energetically unfavor...

3,4-Dimercaptophenylalanines and 2,3-dimercaptophenylalanines have been synthesized for the first time by nucleophilic substitution of a protected aminomalonate on 3,4- 2,3-dimercaptobenzyl bromide derivatives. The dithiol functions were as thioketals, key precursors, diphenylthioketal-protected dimercaptobenzyl bromides, via two distinct routes from either dihydroxy benzoates or toluene-3,4-di...

Native disulfide bond formation is essential for the folding of many proteins. The enzyme protein disulfide isomerase (POI) catalyzes native disulfide bond formation using a Cys-Gly-HisCys active site. The active-site properties of POI (thiol pK. = 6.7 and disulfide E;O' = -180 mY) are critical for efficient catalysis. This Dissertation describes the design, synthesis, and characterization of s...