Various aromatic molecules can behave as electron donors and form molecular complexes with electron acceptor molecules such as halogens, mitrocompounds and quinones. Extensive works have been carried out to elucidate the nature of intermolecular interactions in these molecular complexes. Mulliken has developed the theory of the intermolecular CT interactions, which has been applied successfully...

We report the results of molecular dynamics simulations of electron-transfer activation parameters of plastocyanin metalloprotein involved as an electron carrier in natural photosynthesis. We have discovered that slow, non-ergodic conformational fluctuations of the protein, coupled to hydrating water, result in a very broad distribution of donor-acceptor energy gaps far exceeding those observed...

Sulfite dehydrogenases (SDHs) are enzymes that catalyze the oxidation of the toxic and mutagenic compound sulfite to sulfate, thereby protecting cells from adverse effects associated with sulfite exposure. While some bacterial SDHs that have been characterized to date are able to use cytochrome c as an electron acceptor, the majority of these enzymes prefer ferricyanide as an electron acceptor ...

The naphthalene-1,4:5,8-bis(dicarboximide) radical anion (NDI-˙), which is easily produced by mild chemical or electrochemical reduction (-0.5 V vs. SCE), can be photoexcited at wavelengths as long as 785 nm, and has an excited state (NDI-˙*) oxidation potential of -2.1 V vs. SCE, making it a very attractive choice for artificial photosynthetic systems that require powerful photoreductants, suc...

Molecular vibrations and electron-vibrational interactions are central to the control of biomolecular electron and energy-transfer rates. The vibrational control of molecular electron-transfer reactions by infrared pulses may enable the precise probing of electronic-vibrational interactions and of their roles in determining electron-transfer mechanisms. This type of electron-transfer rate contr...

In photosynthesis, cyanobacteria, algae and plants fix carbon dioxide (CO(2)) into carbohydrates; this is necessary to support life on Earth. Over 50 years ago, Otto Heinrich Warburg discovered a unique stimulatory role of CO(2) in the Hill reaction (i.e., O(2) evolution accompanied by reduction of an artificial electron acceptor), which, obviously, does not include any carbon fixation pathway;...

Many optoelectronic applications require organic semiconductor (OSC) materials with high electron affinity. In this work, a series of novel acceptor–donor–acceptor (A–D–A) low-lying LUMO energy levels were designed and characterized. strategy, two acceptor dyes, bis-isatin di-2-(2-oxindolin-3-ylidene) malononitrile, connected by various π–bridges (benzene ring, benzo[c][1,2,5]thiadiazole, monot...

quantum chemical calculations, based on density functional theory (dft) method, were performed on calix[4]arene and polychlorinated dibenzo-p-dioxins (pcdds) in gas and liquid phases for comparison purposes. the simulation results show the 1,2,3,4, 6,7,8,9-octachlorodibenzo-p-dioxin (ocdd) is quite a reactive dioxin. this paper attempts to examine the possibility of dioxin adsorption by calix[n...

the complex formed as a consequence of the interaction between the electron-acceptor p-chloranilic acid and an electron donor tamoxifen citrate was employed in the assay of the drug in pure powder and tablets. chloranilic acid was found to form a charge-transfer complex in a 1:1 stoichiometric ratio, with tamoxifen citrate. the wavelength of maximum absorption for the complex was found to be 55...

Electron transfer (ET) processes in DNA are of current interest because of their involvement in oxidative strand cleavage reactions and their relevance to the development of molecular electronics. Two mechanisms have been identified for ET in DNA, a single-step tunneling process and a multistep charge-hopping process. The dynamics of tunneling reactions depend on both the distance between the e...