The photo-induced charge transfer in four series of Prussian blue (PB) analogues was studied from photoacoustic spectra. In cobalticyanides the observed signals were assigned to a metal-to-ligand charge transfer, which appears as a shoulder below 450 nm, and to d-d transitions for Co(II), Ni(II) and Cu(II) complex salts. No evidence of metal-to-metal charge transfer was observed for this series...

The role of charge transfer in halogen bonding is the subject of an ongoing debate and controversy. It is clear from experimental data that charge transfer occurs in halogen bonds, but its contribution to the energetics of the interaction can be evaluated only computationally. Since the charge transfer is not a physically well-defined property, there are multiple computational approaches, which...

We report on the ultrafast photoinduced charge separation processes in varying compositions of poly(3-hexylthiophene) (P3HT) blended with the electron acceptor [6,6]-phenyl-C61-butyric acid methyl ester (PCBM). Through the use of time-resolved terahertz spectroscopy, the time- and frequency-dependent complex photoconductivity is measured for samples with PCBM weight fractions (WPCBM) of 0, 0.2,...

It has been suggested that fluorescence from amine-containing dendrimer compounds could be the result of a charge transfer between amine groups and molecular oxygen [Chu, C.-C.; Imae, T. Macromol. Rapid Commun. 2009, 30, 89.]. In this paper we employ equation-of-motion coupled cluster computational methods to study the electronic structure of an ammonia-oxygen model complex to examine this poss...

Methylviologen dication is easily reduced to a monocation radical, and turned to be blue, forming a charge-transfer complex with a donor molecule. Yoshikawa et al. recently reported photo-induced reduction and charge transfer complexes in polycyano–polycadmate host clathrates. We study this reduction using quantum chemical calculations. The energy changes with the torsion angle of the two catio...

A pyridyl-functionalized diiron dithiolate complex, [μ-(4-pyCH2-NMI-S2)Fe2(CO)6] (3, py = pyridine (ligand), NMI = naphthalene monoimide) was synthesized and fully characterized. In the presence of zinc tetraphenylporphyrin (ZnTPP), a self-assembled 3·ZnTPP complex was readily formed in CH2Cl2 by the coordination of the pyridyl nitrogen to the porphyrin zinc center. Ultrafast photoinduced elect...

The transfer of charge at the molecular level plays a fundamental role in many areas of chemistry, physics, biology and materials science. Today, more than 60 years after the seminal work of R. A. Marcus, charge transfer is still a very active field of research. An important recent impetus comes from the ability to resolve ever faster temporal events, down to the attosecond time scale. Such a h...