TD-DFT benchmark on inorganic Pt (II) and Ir (III) complexes

C Latouche, D Skouteris, F Palazzetti… - Journal of chemical …, 2015 - ACS Publications
We report in the present paper a comprehensive investigation of representative Pt (II) and Ir
(III) complexes with special reference to their one-photon absorption spectra employing …

Linear and nonlinear optical properties of cationic bipyridyl iridium (III) complexes: tunable and photoswitchable?

V Aubert, L Ordronneau, M Escadeillas… - Inorganic …, 2011 - ACS Publications
A series of cationic Ir (III) substituted bipyridyl (N∧ N (N∧ N-bpy) complexes incorporating
electron-donor and-acceptor substituents,[Ir (C∧ N-ppy-R′) 2 (N∧ N-bpy-CH CH-C6H4 …

Structural, optical and nonlinear optical properties and TD-DFT analysis of heteroleptic bis-cyclometalated iridium (III) complex containing 2-phenylpyridine and …

D Hadji, H Brahim - Theoretical Chemistry Accounts, 2018 - Springer
In this work, we studied the structural, optical and nonlinear optical properties and UV–
visible absorption spectrum of the heteroleptic bis-cyclometalated iridium (III) complex …

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

H Wang, J Ye, Y Qiu, F Chen - New Journal of Chemistry, 2022 - pubs.rsc.org
In this paper, eight complexes M-1, M-2, M-3 and M-4 (M= Ir or Rh) in the general formula [M
(C^ N) 2 (N^ N)](C^ N= cyclometalated ligands and N^ N= ancillary ligands) are …

Near-IR two photon microscopy imaging of silica nanoparticles functionalized with isolated sensitized Yb (III) centers

G Lapadula, A Bourdolle, F Allouche… - Chemistry of …, 2014 - ACS Publications
Bright nano-objects emitting in the near-infrared with a maximal cross section of 41.4× 103
GM (Goppert Mayer) were prepared by implanting ca. 180 4, 4′-diethylaminostyryl-2, 2 …

Role of Seroalbumin in the Cytotoxicity of cis-Dichloro Pt(II) Complexes with (N^N)-Donor Ligands Bearing Functionalized Tails

C Pérez-Arnaiz, J Leal, N Busto, MC Carrión… - Inorganic …, 2018 - ACS Publications
Given the potent anticancer properties of cis-diamminedichloroplatinum (II) and knowing its
mode of action, we synthesized four new cis-[PtCl2 (N^ N)] organoplatinum complexes, two …

Introducing 3D conjugated acceptors with intense red absorption: homoleptic metal (ii) complexes of di (phenylacetylene) azadipyrromethene

W Senevirathna, G Sauvé - Journal of Materials Chemistry C, 2013 - pubs.rsc.org
A novel strategy for the design and synthesis of functional materials with excellent acceptor
properties is presented. The materials are based on homoleptic metal (II) complexes of …

Quantum Chemical Study of Redox-Switchable Second-Order Nonlinear Optical Responses of D− π–A System BNbpy and Metal Pt (II) Chelate Complex

NN Ma, SL Sun, CG Liu, XX Sun… - The Journal of Physical …, 2011 - ACS Publications
A second-order nonlinear optical (NLO) molecular switching with redox has been
investigated in the present paper. The static first hyperpolarizabilities of 5-(BMes2)-5 …

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

Y Wang, Y Chen, Y Zhao, Y Qiu - New Journal of Chemistry, 2023 - pubs.rsc.org
The geometric and electronic structures, redox properties, electronic absorption spectra, first
hyperpolarizability, and dynamic hyper-Rayleigh scattering response of a series of Ru (II) …

Influence of the Metal Ion on the Two‐Photon Absorption Properties of Lanthanide Complexes Including Near‐IR Emitters

A Bourdolle, M Allali, A d'Aléo, PL Baldeck… - …, 2013 - Wiley Online Library
The synthesis of tris (2‐thenoyltrifluoroacetonate) lanthanide (III) complexes featuring a
diethylaminostyryl‐2, 2′‐bipyridine coligand was achieved for lanthanum; the near …