Novel, intramolecular hydrogen-transfer and cyclo-addition photochemistry of cyclic 1,3-dienes

A novel non-fluorescent excited state intramolecular proton transfer phenomenon induced by intramolecular hydrogen bonds: an experimental and theoretical investigation

Two molecules, 1-hydroxypyrene-2-carbaldehyde (HP) and 1-methoxypyrene-2-carbaldehyde (MP) were explored. We investigated their photophysical properties, using experimental transient absorption and theoretical density functional theory/time-dependent density functional theory (DFT/TDDFT). HP and MP have similar geometric conformations but exhibit entirely different photophysical properties upon...

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...

Controlling intramolecular hydrogen transfer by single atoms and molecules

Conventional and Unconventional Intramolecular Hydrogen Bonding in some Beta-diketones

This study presents our view of unconventional and conventional intramolecular hydrogen bonds (HBs) for some beta-diketones theoretically and experimentally. According to our results, the groups such as Phenyl and t-But in beta positions increase and CF3 group decrease IHB strength, respectively. For better understanding of the substitution effects, the compounds with similar and different subs...

What can electron impact spectroscopy offer to photochemistry? Triplet states, negative ions and intramolecular electron transfer

The principles of the electron impact methods Electron Energy Loss (EEL) spectroscopy, Electron Transmission (ET) spectroscopy, measurement of EnergyDependence (ED) of vibrational excitation, and Dissociative Attachment (DA) spectroscopy are briefly introduced. The possibilities of modem instrumentation are illustrated with the examples of molecular oxygen and 1,3-butadiene. The following subje...