The low-temperature magnetic properties and Néel temperature, TN, behavior of four silicate substitutional solid solutions containing paramagnetic ions are analyzed. The four systems are: fayalite-forsterite olivine [Fe22+SiO4-Mg2SiO4], and the garnet series, grossular-andradite [Ca3(Alx,Fe31+ –x)2Si3O12], grossular-spessartine [(Cax,Mn21+ –x)3Al2S...
Annual Review of Physical Chemistry
The corpus of electron transfer (ET) theory provides considerable power to describe the kinetics and dynamics of electron flow at the nanoscale. How is it, then, that nucleic acid (NA) ET continues to surprise, while protein-mediated ET is relatively free of mechanistic bombshells? I suggest that this difference originates in the distinct electroni...
Journal of computational chemistry
Understanding (super-)exchange coupling between local spins is an important task in theoretical chemistry and solid-state physics. We show that a Green's-function approach introduced earlier (Liechtenstein et al., J. Phys. F 1984, 14, L125; Steenbock et al., J. Chem. Theory Comput. 2015, 11, 5651) can be used for analyzing exchange coupling pathway...
Chemphyschem : a European journal of chemical physics and physical chemistry
In acene-based molecular crystals, singlet exciton fission occurs through superexchange mediated by two virtual charge-transfer states. Hence, it is sensitive to their energies, which depend on the local environment. The crucial point is the balance between the charge-quadrupole interactions within the pair of molecules directly involved in the pro...
Proceedings of the National Academy of Sciences of the United States of America
Energy transfer with an associated spin change of the donor and acceptor, Dexter energy transfer, is critically important in solar energy harvesting assemblies, damage protection schemes of photobiology, and organometallic opto-electronic materials. Dexter transfer between chemically linked donors and acceptors is bridge mediated, presenting an ent...
Advanced materials (Deerfield Beach, Fla.)
The narrower bands formed by donor-acceptor polymers are not detrimental to transport, as the reduced electronic coupling along the chain is more than compensated by a reduced activation energy for transport. These polymers are less sensitive to the conformational disorder of the chain as long as the bandwidth is larger than a threshold.
Pure and Applied Chemistry
Experimental investigations of photoinduced charge transport in synthetic DNA capped hairpins possessing electron acceptor and donor stilbene chromophores at either end have established the mechanism, dynamics, and efficiency of charge transport in DNA. The mechanism for charge transport in repeating A-T base pairs (A-tracts) was found to change fr...
Journal of Chemical Sciences
We have investigated the structure and magnetic properties of the perovskite oxides of the formula La2Fe1−xMn2xCr1−xO6 (0
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Russian Chemical Bulletin
Dinuclear copper(II) complexes with acyldihydrazones of 2-hydroxy-5-nitroacetophenone (H4L) of the composition Cu2(Py)xL·mEtOH were synthesized and characterized. In these complexes, the coordination polyhedra of the copper atoms are linked to each other by a polymethylene chain of different lengths, from one to five monomer units. The structure of...