Theoretical investigation of electronic structures, second-order NLO responses of cyclometalated Ir(iii) and Rh(iii) counterpart complexes: effect of metal centers

Abstract

Tuning center metal is an effective manner to modulate second-order NLO responses. When the big size Ir is introduced in complexes, the superior NLO responses can be found over its Rh counterparts.

External electric field driven electronic structures: tunable nonlinear optical properties of helical bilayer nanographenes

“…Nonlinear optical (NLO) materials play a pivotal role in optical information processing, encompassing applications such as photoelectric regulation, data storage, laser technology, component development, and photoelectric device manufacturing. [1][2][3][4][5][6][7][8] The realm of NLO materials encompasses inorganic materials, 9,10 organic materials 11,12 and metal-organic materials, 13,14 garnering significant interest from both theoretical and experimental researchers. Currently, various strategies aim to enhance NLO properties, including the introduction of donor (D) and acceptor (A) moieties, [15][16][17] strengthening p-conjugated chain structures, 18,19 and applying external electric fields to organic compounds.…”

Substituent and redox effects on the second-order NLO response of Ru(ii) complexes with polypyridine ligands: a theoretical study

“…[27][28][29][30][31][32] Their NLO responses are also easily modulated by modifying the ancillary ligands, redox and other parameters. [33][34][35][36][37][38] In 2003, Powell et al employed the hyper-Rayleigh scattering (HRS) procedure to measure the molecular quadratic optical nonlinearities of complexes M(4-CRCC 6 H 4 -NO 2 )(PH 3 ) 2 (Z-C 5 H 5 ) (M = Fe, Ru, Os). The obtained b HRS values were affected by the electron-withdrawing/donating characteristic of ligands.…”

Aggregation-induced emission of cyclometalated rhodium(iii) and iridium(iii) phenylpyridine complexes with ancillary 1,3-diketones

“…35,36 Moreover, there has been a renewed interest in studying rhodium(III) cyclometalates together with their iridium(III) analogues. [37][38][39] Since the first report on cyclometalated iridium(III) complexes exhibiting aggregation-induced emission (AIE), 40 numerous Ir(III) complexes have been shown to be AIE-active, and a wide range of potential applications has been proposed for such complexes [41][42][43][44][45][46][47][48][49][50] and other materials. [51][52][53][54][55][56] Surprisingly, there have been no reports on Rh(III) compounds displaying enhanced emission in the solid state or aggregates.…”

“…35,36 Moreover, there has been a renewed interest in studying rhodium( iii ) cyclometalates together with their iridium( iii ) analogues. 37–39…”