[Cu(POP)(N^S)][PF₆] and [Cu(xantphos)(N^S)][PF₆] compounds with 2-(thiophen-2-yl)pyridines

Abstract

[Cu(P^P)(N^S)][PF6] with N^S = 2-(thiophen-2-yl)pyridines show close cation⋯anion association in the solid-state; complex cation association with Cl− occurs in solution. The compounds are blue-emitters in solution with a red-shift of the emission on going to the solid.

TADF: Enabling luminescent copper(i) coordination compounds for light-emitting electrochemical cells

“…This compound was incorporated as the electroluminophore in a LEC, but exhibited poor EL and poor charge transporting properties. 139 The neutral complex [Cu(dppb) (35)] (dppb = 1,2bis(diphenylphosphano)benzene) is a green emitter. In the solid state,  max em (PL) = 521 nm and PLQY = 52% at 293 K, and the corresponding values at 77 K are 534 nm and 73%, with an increased decay lifetime on cooling.…”

Synthesis of new thienylpicolinamidine derivatives and possible mechanisms of antiproliferative activity

“…† The DFT bond length data were found to be longer than the corresponding X-ray reported values by only 0.01-0.1Å (ref. [35][36][37][38] (Table S2 †) which may have been attributed to the DFT calculations, a single molecule in gaseous state was considered and so no intermolecular coulombic interactions, while the X-ray obtained for molecules in solid state interacting in crystal lattice. 39 The dihedral angle data of the cationic picolinamidines 4a-c showed that the pyridyl ring was titled on the thienyl moiety plane by 3.00-4.50 , i.e.…”

“…Both thienyl and phenyl rings bond angle data of the investigated cationic picolinamidines almost coincided with those obtained from X-ray single crystal of analogue compounds. [35][36][37][38] For example, cationic compound 4c data showed that C 4 40 respectively, and their energy explain the ultimate charge transfer. 41,42 Moreover, the HOMO-LUMO energy gap decrease shows the ease of charge transfer interactions, which may be responsible for the bioactivity of the molecules.…”

“…The cationic amidine bond angle H-N + -H and H-N-H were $116.88 and 120.40 , respectively. Comparison with the corresponding X-ray reported values indicated a difference by AE3.81 for both angles[35][36][37][38] (Table S4 †). 3.2.2.…”

“…1 ,[35][36][37][38] respectively. The cationic amidine bond angle H-N + -H and H-N-H were $116.88 and 120.40 , respectively.…”