Now showing items 111-115 of 115
Design of singlet fission chromophores with cyclic (alkyl)(amino) carbene building blocks
(AIP Publishing, 2019-06-21)
We use MRSF-TDDFT and NEVPT2 methods to design singlet fission chromophores with the building blocks of cyclic (alkyl)(amino)carbenes (CAACs). CAAC dimers with C2, C4, and p-phenylene spacers are considered. The substitutions ...
Controlling thermal stability and volatility of organogold(I) compounds for vapour deposition with complementary ligand design
Atomic layer deposition (ALD) of gold is being studied by multiple research groups, but to date no process using non-energetic oxidizing co-reactants has been demonstrated. In order to access milder co-reactants, precursors ...
Captodative substitution: a strategy for enhancing the conductivity of molecular electronic devices
(American Chemical Society, 2018)
We explore a new strategy to tune the conductivity of molecular electronic devices: captodative substitution. We demonstrate that a careful design of such substitution schemes on a benzene parental structure can enhance ...
Direct imaging of curve-crossing dynamics in IBr by attosecond transient absorption spectroscopy
(American Association for the Advancement of Science, 2019-07-05)
The electronic character of photoexcited molecules can abruptly change at avoided crossings and conical intersections. Here, we report direct spectroscopic imaging of such nonadiabatic processes in a prototype molecule, ...
Synthesis of a Trivalent P-Chloro-Dithienophosphole and its Reactivity with Organometallic Reagents
P-chloro-dithieno[3,2-b:2’,3’-d]phosphole was synthesized and isolated from the reaction of an aminophosphole and HCl. Developed to act as a common starting material for P-functionalized phospholes, the compound exhibits ...