Intermolecular Interaction in Methylene Halide (CH2F2, CH2Cl2, CH2Br2 and CH2I2) Dimers

Relaxation of the CH2 Stretching Modes of Liquid Dihalomethanes

The vibrational relaxation of the liquid dihalomethanes CH2I2, CH2Br2 and CH2Cl2 has been studied by a combination of IR/IR and IR/Raman pump-probe techniques applying a time resolution of ~2 ps. Careful analysis of the results shows a general trend of decreasing relaxation rates from dichloromethane to diiodomethane, with few individual deviations. Possible explanations for these observations ...

Intra- and Intermolecular Singlet Fission in Covalently Linked Dimers

Electronic factors controlling singlet fission (SF) rates are investigated in four-chromophore model systems comprising two covalently linked dimers of tetracene. By using adiabatic framework and wave function analysis tools, we show that the lowest singlet multiexciton states are localized on the individual molecules. The intermolecular ME states, in which the triplet excitons reside on separa...

Computational study of the intramolecular proton transfer between 6-hydroxypicolinic acid tautomeric forms and intermolecular hydrogen bonding in their dimers

This paper is a density functional theory (DFT) calculation of intramolecular proton transfer (IPT) in 6-hydroxypicolinic acid (6HPA, 6-hydroxypyridine-2-carboxylic acid) tautomeric forms. The transition state for the enol-to-keto transition is reported in the gas phase and in four different solvents. The planar and non-planar dimer forms of 6HPA keto and enol, respectively, were also studied i...

Arm-in-Arm Response Regulator Dimers Promote Intermolecular Signal Transduction.

UNLABELLED Bacteriophytochrome photoreceptors (BphPs) and their cognate response regulators make up two-component signal transduction systems which direct bacteria to mount phenotypic responses to changes in environmental light quality. Most of these systems utilize single-domain response regulators to transduce signals through unknown pathways and mechanisms. Here we describe the photocycle an...

Intermolecular interaction in tetramethylurea solutions