Visible light-induced charge transfer dynamics were investigated in a novel transition metal triad acceptor-chromophore-donor, (NDI-phen)Pt(II)(-C≡C-Ph-CH2-PTZ)2 (1), designed for photoinduced charge separation using a combination of time-resolved infrared (TRIR) and femtosecond electronic transient absorption (TA) spectroscopy. In 1, the electron acceptor is 1,4,5,8-naphthalene diimide (NDI), ...

DFT-GGA method of Perdew-Burke-Ernzerhof (PBE) is used with aug-cc-PVTZ, 6-311++G**, and Def2-TZVP large basis sets to study the hydrogen bond interactions between oxygen lone pair as a donor electron with hydrogen atom connected to the aniline’s nitrogen as an electron acceptor (H2O···HNH-Ph), and nitrogen lone pair with hydrogen of water molecule (Ph-H2N···HOH...

We have characterized the size, intensity, density, and distribution of charge-transfer (CT) excitons as a function acceptor–donor architecture prototypical organic interfaces. This characterization was done by computational analysis 17 models varying numbers, positions, orientations donor acceptor molecules. The models’ building blocks were phenyl-C61-butyric acid methyl ester (PCBM) fullerene...

The performance of nonfullerene-acceptor-(NFA)-based organic solar cells is rapidly approaching the efficiency inorganic cells. chemical versatility NFAs extends light-harvesting range to infrared, while preserving a considerably high open-circuit-voltage, crucial achieve power-conversion efficiencies >17%. Such low voltage losses in charge separation process have been attributed low-driving-fo...

The regioselectivity of the conjugate nucleophilic addition amines to vicinal di-acceptor-substituted alkenes has been studied. A set results obtained with standard primary and secondary gives some clues on relative acceptor character classical electron-withdrawing groups (EWG). We have shown in that computed inverse local nucleophilicity index can be used predict attack.

The reductive dechlorination of tetrachloroethene (PCE) and trichloroethene (TCE) at contaminated sites often results in the accumulation of cis-1,2-dichloroethene (DCE) and vinyl chloride (VC), rather than the nonhazardous end product ethene. This accumulation may be caused by the absence of appropriate microorganisms, insufficient supply of donor substrate, or reaction kinetic limitations. He...

Prokaryotes have aerobic and anaerobic electron acceptors for oxidative folding of periplasmic proteins. The mitochondrial intermembrane space has an analogous pathway with the oxidoreductase Mia40 and sulfhydryl oxidase Erv1, termed the mitochondrial intermembrane space assembly (MIA) pathway. The aerobic electron acceptors include oxygen and cytochrome c, but an acceptor that can function und...

Strain Co23, an anaerobic spore-forming microorganism, was enriched and isolated from a compost soil on the basis of its ability to grow with 2,3-dichlorophenol (DCP) as its electron acceptor, ortho chlorines were removed from polysubstituted phenols but not from monohalophenols. Growth by chlororespiration was indicated by a growth yield of 3.24 g of cells per mol of reducing equivalents (as 2...

A computational approach for estimating thermal electron-transfer reaction distances in symmetrical mixed-valence compounds is described and applied to a series of bis(hydrazine) and bis(hydrazyl) radical cations and derivatives, some of which have been investigated experimentally by Nelsen and co-workers. Ground-state semiempirical charge distributions are obtained by using optimized reactant ...

Arsenic is a widely distributed environmental toxin whose presence in drinking water poses a threat to >140 million people worldwide. The respiratory enzyme arsenite oxidase from various bacteria catalyses the oxidation of arsenite to arsenate and is being developed as a biosensor for arsenite. The arsenite oxidase from Rhizobium sp. str. NT-26 (a member of the Alphaproteobacteria) is a heterot...