Charge transfer reactions in solution are of fundamental importance in many areas of chemistry and biology. As commonly accepted, electron transfer reaction is regarded as the simplest chemical reaction because of the absence of bond-breaking and bondforming processes. It plays a key role in biocatalysis and in photosynthesis. On the other hand, neutralisation reactions between Brønsted acids a...

Motivated by the necessity to understand the pyrolysis of alkylated amines, unimolecular decomposition of acetamide is investigated herein as a model compound. Standard heats of formation, entropies, and heat capacities, are calculated for all products and transition structures using several accurate theoretical levels. The potential energy surface is mapped out for all possible channels encoun...

Unambiguous evidence for the formation of excited ions upon ultrafast bimolecular photoinduced charge separation is found using a combination of femtosecond time-resolved fluorescence up-conversion, infrared and visible transient absorption spectroscopy. The reaction pathways are tracked by monitoring the vibrational energy redistribution in the product after charge separation and subsequent ch...

In this study we have compared energy and electron transfer reactions in termolecular systems using a nanosecond diffuse reflectance laser flash photolysis technique. We have previously investigated these processes on silica gel surfaces for bimolecular systems and electron transfer in termolecular systems. The latter systems involved electron transfer between three arene molecules with azulene...

From a rigorous multichannel quantum-defect formulation of bimolecular processes, we derive a fully quantal and analytic model for the total rate of exoergic bimolecular reactions or inelastic processes that is applicable over a wide range of temperatures including the ultracold regime. The theory establishes a connection between the ultracold chemistry and the regular chemistry by showing that...

Abstract We address the question of which small, bimolecular, mass action chemical reaction networks (CRNs) are capable Andronov–Hopf bifurcation (from here on abbreviated to ‘Hopf bifurcation’). It is easily shown that any such network must have at least three species and four irreversible reactions, one example a with exactly reactions was previously known due Wilhelm. In this paper, we devel...