The role of vibrational dynamics in the vicinity of conical intersections is investigated using the first two electronically excited states of 1,4-diazabicyclo[2,2,2]octane (DABCO) by combining time-resolved photoelectron spectroscopy with ab initio computation. Upon resonant excitation of the origin band of the short-lived S2 (1E') state, oscillations in the electronic population between the S...

A new all-atom first-principles force field (FF) is constructed for the bimetallic, four-bladed zinc paddlewheel (ZPW) motif. Zinc-ligand interactions are described via Morse functions and the angular geometry at the metal centers is modeled with a pure ligand-ligand repulsion term. The ZPW-FF is principally based on 15 DFT-optimized model systems of general formula ZnPR.nL, where ZnP is the ba...

Abstract Two new hybrid iodobismuthates, [C 8 H 17 N 2 ][C 10 22 ][BiI 6 ] ( 1 ) and 12 0.5 3.5 [Bi I ][Bi 9 ), have been prepared by solvothermal synthesis in the presence of 1,4-diazabicyclo[2.2.2]octane (DABCO) ethanol. Both compounds characterized single-crystal powder X-ray diffraction, infrared UV–Vis spectroscopies thermogravimetric analysis. Structure determination reveals that crystal ...

The first electrochemical synthesis of diarylphosphole oxides (DPOs) was achieved under mild conditions. practical protocol employs commercially available and inexpensive DABCO as a hydrogen atom transfer (HAT) mediator, leading to various DPOs in moderate good yields. This procedure can also be applied the six-membered phosphacycles, such phenophosphazine derivatives. Mechanistic studies sugge...

Herbicidal Action of Monuron, Light, Oxygen, Singlet Oxygen, Plant Pigments Monuron treatment of detached flax cotyledons caused a rapid inhibition of C 02 fixation in darkness and light. Chlorophyll breakdown was promoted by increased light intensity. Ethane generation, an indicator of membrane damage, increased as the chlorophyll level decreased. The carotene pigments were destroyed more rapi...

The reaction of 5,5-dimethylcyclohexane-1,3-dione with various heteroarylaldehydes afforded the corresponding heteroaryl substituted xanthene derivatives 1(a-f). The reaction proceeds via the initial Knoevenagel, subsequent Michael, and final heterocyclization reactions using 1,4-diazabicyclo[2.2.2]octane (DABCO) as a catalyst in aqueous media. The synthesized heteroaryl substituted xanthenes 1...

Chemists have been attempting to triphosphorylate nucleosides and other alcohols using trimetaphosphate (TriMP) since the 1960s. However, this route appears to have been abandoned due to poor yields. The first practical syntheses of nucleoside triphosphates (NTPs) are reported using TriMP as the key reagent. This was achieved by reacting the tetrabutylammonium salt of TriMP with mesitylenesulfo...