Halide (Cl-, Br-, I-) Influence on the Electronic Properties of Macrocyclic Nickel(II) Complexes: Ab-initio DFT Study (original) (raw)

Solid-State Structures and Magnetic Properties of Halide-Bridged, Face-to-Face Bis - Nickel(II)-Macrocyclic Ligand Complexes: Ligand-Mediated Interchanges of Electronic Configuration

Manawadevi Ganehenege

Inorganic Chemistry, 2005

View PDFchevron_right

DFT studies on the structure and stability of tetraaza macrocyclic nickel(II) complexes containing dicarbinolamine ligand moiety

Dr. E.J. Padma Malar

Journal of Chemical Sciences, 2019

View PDFchevron_right

Conformational Analysis of Hexakis-DMF Nickel(II) Complex on the Basis of Density Functional Theory Computations

Hiroshi Sakiyama

Journal of Computer Chemistry, Japan, 2013

View PDFchevron_right

Nickel(ii) in chelate N2O2 environment. DFT approach and in-depth molecular orbital and configurational analysis

Srećko Trifunović

Dalton Transactions, 2013

View PDFchevron_right

Stable complex of nickel(I) with the N6 macrocycle hexacyclene

Galina Gencheva

Theoretical and Experimental Chemistry, 1991

View PDFchevron_right

Influence of the Peripheral Ligand Atoms on the Exchange Interaction in Oxalato-Bridged Nickel(II) Complexes: An Orbital Model. Crystal Structures and Magnetic Properties of (H 3 dien) 2 [Ni 2 (ox) 5 ]·12H 2 O and [Ni 2 (dien) 2 (H 2 O) 2 (ox)]Cl 2

Pascual Roman

Inorganic Chemistry, 1996

View PDFchevron_right

Nickel(II) complexes of the unsymmetrical tetradentate Schiff base of methyl-2-(N-2′-aminoethane), (1-methyl-2′-aminoethane), (3-aminopropylamino)cyclopentenedithiocarboxylate: Synthesis, characterization, thermodynamic and computational studies

Khosro Mohammadi

Inorganica Chimica Acta, 2013

View PDFchevron_right

Synthesis and relation between magnetic and structural properties of a series of monomeric and dimeric nickel(II) complexes. Crystal and molecular structures of [Ni(biq)Cl2]2, Ni(biq)Br2, [Ni(dmp)Cl2]2, [Ni(dmp)Br2]2 and Ni(bc)I2

Ray Butcher, Ekkehard Sinn

Inorganic Chemistry, 1977

View PDFchevron_right

Synthesis, X-ray crystal structure, and solution properties of nickel(II) complexes of new 16-membered mixed-donor macrocyclic Schiff base ligand incorporating a pendant alcohol function

Concepcion Lopez

Polyhedron, 2003

View PDFchevron_right

Nickel(II) complexes bonded to 12-membered macrocyclic ligands

Robin Webb

Inorganica Chimica Acta, 1995

View PDFchevron_right

Nickel(II) complexes of whole set of the simple ethylenediaminetetracarboxylate ligands: DFT study of complexes invoking molecular orbital and configurational analysis

Auke Meetsma

Inorganic Chemistry Communications, 2009

View PDFchevron_right

Two new μ2-(1,1-azido) and μ2-(1,1-phenoxido)-bridged dinuclear nickel(II) complexes: Syntheses, single-crystal structures and magnetic studies

Soumen Manna

Journal of Molecular Structure, 2018

View PDFchevron_right

Synthesis, X-Ray Crystallography and DFT Studies of Ni(II) Complex with Tetradentate

sciepub.com SciEP

View PDFchevron_right

Preparation, configurational and DFT-NBO analysis of nickel(II) complexes with edta-type ligands containing six-membered backbone ring: crystal structure of [Ni(H 2 O) 6 ][Ni(1,3-pdta)]•2H 2 O

Marija Ristić

Journal of coordination chemistry, 2013

View PDFchevron_right

Low-lying electronic energy levels in a series of heterodinuclear complexes containing octahedral nickel(II) and tetrahderal metal(II) (copper, cobalt, and manganese) species

Andrea Caneschi

Inorganic Chemistry, 1986

View PDFchevron_right

Theoretical aspect of the bonding in bis-chelate thiosemicarbazones nickel (II) complexes: A DFT study

nadia ouddai

Journal of Molecular Structure, 2018

View PDFchevron_right

Nickel(II) complexes with dicyanamide and tetramines

Zdeněk Šindelář, Jaromír Marek

1999

View PDFchevron_right

Preparation, configurational and DFT–NBO analysis of nickel(II) complexes with edta-type ligands containing six-membered backbone ring: crystal structure of [Ni(H 2 O) 6 ][Ni(1,3-pdta)]·2H 2 O

Belošević Slobodan

2013

View PDFchevron_right

Formation of bis(μ-tetrazolato)dinickel(ii) complexes with N,N,O-donor Schiff bases via in situ 1,3-dipolar cyclo-additions: isolation of a novel bi-cyclic trinuclear nickel(ii)–sodium(i)–nickel(ii) complex

Sudipta Chatterjee

Dalton Transactions, 2014

View PDFchevron_right

The Crucial Role of Polyatomic Anions in Molecular Architecture: Structural And Magnetic Versatility of Five Nickel(II) Complexes Derived from A N,N,O-Donor Schiff Base Ligand

Pampa Mukherjee

Inorganic Chemistry, 2009

View PDFchevron_right

Stabilization of the tervalent nickel complex with meso-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane by axial coordination of anions in aqueous solution

Joel Bernstein, Dan Meyerstein

Inorganic Chemistry, 1982

View PDFchevron_right

Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs

Eleni Moushi

CrystEngComm, 2012

View PDFchevron_right

A Versatile Series of Nickel(II) Complexes Derived from Tetradentate Imine/Pyridyl Ligands and Various Pseudohalides: Azide and Cyanate Compared

Guilem Aromí

Inorganic Chemistry, 2008

View PDFchevron_right

Synthesis and spectral studies of nickel(II) complexes derived from disalicylaldehyde oxaloyldihydrazone

kumari anita

Journal of Coordination Chemistry, 2009

View PDFchevron_right

Electronic Structure of Four-Coordinate C 3 v Nickel(II) Scorpionate Complexes: Investigation by High-Frequency and -Field Electron Paramagnetic Resonance and Electronic Absorption Spectroscopies

Joshua Telser

Inorganic Chemistry, 2006

View PDFchevron_right

Structure, electronic properties, and NBO and TD-DFT analyses of nickel(II), zinc(II), and palladium(II) complexes based on Schiff-base ligands

Mostefa Boumediene

Journal of Molecular Modeling, 2018

View PDFchevron_right

Binuclear Nickel(II) Complexes Based on Bridging Oxalate and Pseudohalides as Peripheral Ligands: Synthesis, Crystal Structure, DFT Calculations and Magnetic Properties of [{Ni(X)(dien)}2(μ-ox)]·nH2O Complexes (X = N3−, NCS−,n= 0; NCO−,n= 1)

Antonio Luque

European Journal of Inorganic Chemistry, 2000

View PDFchevron_right

Experimental charge-density study on the nickel(II) coordination complex [Ni(H 3 L )][NO 3 ][PF 6 ] [H 3 L = N , N ′, N ′′-tris(2-hydroxy-3-methylbutyl)-1,4,7-triazacyclononane]: a reappraisal

Robert Peacock

Acta Crystallographica Section B Structural Science, 2006

View PDFchevron_right

Stabilization of the tervalent nickel complex with meso-5, 7, 7, 12, 14, 14-hexamethyl-1, 4, 8, 11-tetraazacyclotetradecane by axial coordination of anions in aqueous …

Israel Zilbermann, Dan Meyerstein, Louis Kirschenbaum

Inorganic …, 1982

View PDFchevron_right

Structural investigations of nickel complexes with nitrogen and sulfur donor ligands

Michael Maroney

Inorganic Chemistry, 1990

View PDFchevron_right

Fourier transform infrared spectrum, vibrational analysis and structural determinations of the trans-bis(glycine)nickel(II) complex by means of the RHF/6-311G and DFT:B3LYP/6-31G and 6-311G methods

Claudio Alberto Tellez

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2007

View PDFchevron_right