In order to adjust the mesomorphic properties the length of the alkoxy spacer and the terminal alkyl group, the counter ion, the substitution pattern of the imidazolium head group and the molecular geometry (linear vs. bent) are varied and the corresponding compounds were i...
Two molecules BH 2 and BH 2 + , which have the same nuclear framework but favor respectively bent and linear conformations, are comparatively studied. Using an approximate Hartree-Fock momentum density, the total molecular energy (including the nuclear repulsion) is partitioned into orbital ...
The first isomer A has trigonal-bipyramidal geometry with a linear nitrosyl (NO+) while the second isomer B is believed to have square-pyramidal geometry with a bent nitrosyl (NO-) at the apex. A low-temperature crystalline form of CoCl2(NO)(P(CH3)(C6H5) 2)2 containing almost solely ...
Several of the intermediate dinuclear complexes were isolated and used for reference purposes; The molecular structures, the v(CN) IR data, the cyclic voltammograms, and the UV-vis-near-IR spectra were used to probe the effects of the geometry at platinum (cis vs trans), of cyanide-...
Using the platinum complexes as the dopant, solution processable organic light-emitting diodes (OLEDs) were fabricated and a maximum external quantum efficiency of 18% was achieved, which is the highest value among the reported solution-processable OLEDs based on external-stimuli-responsive ...
terminal chains were taken into account as factors that influence the liquid crystalline properties. A number of 172 bent-core compounds with symmetrical calamitic wings were selected from the literature. All corresponding structures were fully optimized using the DFT, and the molecular descriptors were...