Two components, two steps: Control over the mechanochromic luminescence (MCL) of a dibenzofuran-based bis(1-pyrenylmethyl)diamine was achieved using two-component donor-acceptor approach. Wide-range MCL with solid-state emission wavelength shift 340 nm and two-step that can respond to mechanical stimuli different intensity were realized for mixtures composed this diamine variety non-MCL accepto...

A new family of twisted donor-acceptor type thermally activated delayed fluorescence (TADF) emitters comprising pyrido[2,3-b]pyrazine as the acceptor and dihydrophenazasilines donor has been developed. The organic light-emitting diodes fabricated developed achieved a high external quantum efficiency up to 9%. Theoretical calculations implied intermediacy triplet excited state for efficient TADF.

A solid-state quantum computer with dipolar coupling between qubits is proposed. The qubits are formed by the low-lying states of an isolated acceptor in silicon. The system has the scalability inherent to spin-based solid state systems, but the spatial separation between the qubits is an order of magnitude larger. Despite strong dipolar inter-qubit coupling, the decoherence rate, as measured b...

The photo-induced electron transfer has been under intensive investigation for a few decades already, and good understanding of the reaction was developed based on thorough study molecular donor–acceptor (DA) system. recent shift to hybrid DA systems opens question transferring knowledge analyze design these new materials. One apparent differences is size increase donor or acceptor entities. el...

The regioselectivity of the conjugate nucleophilic addition amines to vicinal di-acceptor-substituted alkenes has been studied. A set results obtained with standard primary and secondary gives some clues on relative acceptor character classical electron-withdrawing groups (EWG). We have shown in that computed inverse local nucleophilicity index can be used predict attack.

NBO analysis, hybrid density functional theory (B3LYP/6-311+G**) and ab initio molecular orbital (HF/6-311+G**) based methods were used to study the anomeric effects (AE), electrostatic interactions, dipole-dipole interactions and steric repulsion effects on the conformational properties of 2-methoxy- (1), 2-methylthio- (2), 2-methylseleno- (3), 2-fluoro- (4), 2-chloro- (5) and 2-bromocyclohexa...

A series of donor-acceptor heteroleptic open sandwiches with formula CpM-M'Pyl (M = B, Al, Ga; M' = Li, Na; Cp = cyclopentadienyl; Pyl = pentadienyl) has been designed in silico using density functional theory. The most stable complexes are those containing boron as a donor atom. A molecular orbital analysis shows that the s character of the lone pair located at the group 13 element is mainly r...

An electrochemical study of several azulene-1-il-methylen-2,2-dimethyl-[1,3]dioxane-4,6-diones compounds was performed by cyclic and differential pulse voltammetry in order to characterize them and establish the influence of donor and acceptor substituents on their electrochemical properties. It was established the number and characteristics of the redox processes for each compound. The compari...