Theoretical studies on proton transfer reaction of 3(5)-substituted pyrazoles

Proton-transfer reaction mass spectrometry.

Proton-transfer reaction mass spectrometry (PTR-MS) is a technique developed almost exclusively for the detection of gaseous organic compounds in air. Volatile organic compounds (VOCs) in air have both natural and anthropogenic sources. Natural sources include the emission of organic gases by living objects, both plants and animals. A well-known example, which is discussed later in this review,...

Microwave Synthesis of Arylmethyl Substituted Pyrazoles

The synthesis under MW irradiation without solvent of 19 pyrazoles, of which only 8 were known, is described. They bear C-methyl groups and trityl, diphenylmethyl and benzyl groups at positions 1 and 4 of the pyrazole ring. In the reaction between pyrazole and trityl bromide an unexpected reaction occurred and 4-(9-phenyl-9H-fluoren-9-yl)-1Hpyrazole (7) was isolated.

Theoretical studies on bimolecular reaction dynamics.

This perspective discusses progress in the theory of bimolecular reaction dynamics in the gas phase. The examples selected show that definitive quantum dynamical computations are providing insights into the detailed mechanisms of chemical reactions.

Theoretical Studies on Artificial Water Splitting-Water Oxidation and Proton Transfer

Proton transfer dynamics of the reaction H3O

The proton transfer reaction of H3O 1 and NH3 was studied using the crossed molecular beam technique at relative energies of 0.41, 0.81, and 1.27 eV. At all three energies, the center-of-mass flux distribution of the product ion NH4 1 exhibits sharply asymmetry, and the maximum is close to the velocity and direction of the precursor ammonia beam. The reaction transforms almost all of the 1.69 e...