NDLI: Four-coordinate nickel(II) and copper(II) complex based ONO tridentate Schiff base ligands: synthesis, molecular structure, electrochemical, linear and nonlinear properties, and computational study

Content Provider	World Health Organization (WHO)-Global Index Medicus
Author	Carrillo, David Manzur, Carolina Saillard, Jean-yves Hamon, Jean-rené Ledoux-rak, Isabelle Hamon, Paul Roisnel, Thierry Novoa, Néstor Kahlal, Samia Ngo, Hoang Minh
Description	Author Affiliation: Novoa N ( Laboratorio de Química Inorgánica, Instituto de Química, Pontificia Universidad Católica de Valparaíso, Avenida Universidad 330, Valparaíso, Chile. david.carrillo@ucv.cl.)
Abstract	We report the synthesis, characterization, crystal structures, nonlinear-optical (NLO) properties, and density functional theory (DFT) calculations of nickel(II) and copper(II) complex based ONO tridentate Schiff base ligands: two mononuclear compounds, $[Ni(An-ONO)(NC_{5}H_{5})]$ (5) and $[Cu(An-ONO)(4-NC_{5}H_{4}C(CH_{3})_{3})]$ (6), and two heterobimetallic species, $[M(Fc-ONO)(NC_{5}H_{5})]$ (M = Ni, 7; Cu, 8), where $An-ONOH_{2}$ (3) and $Fc-ONOH_{2}$ (4) are the 1:1 condensation products of 2-aminophenol and p-anisoylacetone and ferrocenoylacetone, respectively. These compounds were characterised by microanalysis, FT-IR and X-ray crystallography in the solid state and in solution by UV-vis and $^{1}H$ and $^{13}C$ NMR spectroscopy. The crystal structures of 3–5, 7 and 8 have been determined and show for Schiff base complexes 5, 7 and 8 a four-coordinated square-planar environment for nickel and copper ions. The electrochemical behavior of all derivatives 3–8 was investigated by cyclic voltammetry in dichloromethane, and discussed on the basis of DFT-computed electronic structures of the neutral and oxidized forms of the compounds. The second-order NLO responses of 3–8 have been determined by harmonic light scattering measurements using a $10^{−2}$ M solution of dichloromethane and working with a 1.91 μm incident wavelength, giving rather high $β_{1.91}$ values of 350 and 290 × $10^{−30}$ esu for the mononuclear species 5 and 6, respectively. The assignment and the nature of the electronic transitions observed in the UV-vis spectra were analyzed using time-dependent (TD) DFT calculations. They are dominated by LMCT, MLCT and π–π* transitions.
ISSN	14779226
Issue Number	41
Journal	Dalton Trans.
Volume Number	44
e-ISSN	13645447
Language	English
Publisher	Royal Society of Chemistry
Publisher Date	2015-11-07
Publisher Place	Great Britain (UK)
Access Restriction	Subscribed
Subject Keyword	Chemistry
Content Type	Text
Resource Type	Article
Subject	Inorganic Chemistry

Sl.	Authority	Responsibilities	Communication Details
1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
2	Indian Institute of Technology Kharagpur	Host Institute of the Project: The host institute of the project is responsible for providing infrastructure support and hosting the project	https://www.iitkgp.ac.in
3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
5	Website/Portal (Helpdesk)	Queries regarding NDLI and its services	support@ndl.gov.in
6	Contents and Copyright Issues	Queries related to content curation and copyright issues	content@ndl.gov.in
7	National Digital Library of India Club (NDLI Club)	Queries related to NDLI Club formation, support, user awareness program, seminar/symposium, collaboration, social media, promotion, and outreach	clubsupport@ndl.gov.in
8	Digital Preservation Centre (DPC)	Assistance with digitizing and archiving copyright-free printed books	dpc@ndl.gov.in
9	IDR Setup or Support	Queries related to establishment and support of Institutional Digital Repository (IDR) and IDR workshops	idr@ndl.gov.in