Jaguar: A high‐performance quantum chemistry software program with strengths in life and materials sciences

AD Bochevarov, E Harder, TF Hughes… - … Journal of Quantum …, 2013 - Wiley Online Library
Jaguar is an ab initio quantum chemical program that specializes in fast electronic structure
predictions for molecular systems of medium and large size. Jaguar focuses on …

Strategies to quench quantum tunneling of magnetization in lanthanide single molecule magnets

A Swain, T Sharma, G Rajaraman - Chemical Communications, 2023 - pubs.rsc.org
Enhancing blocking temperature (TB) is one of the holy grails in Single Molecule Magnets
(SMMs), as any future potential application in this class of molecules is directly correlated to …

Modelling spin Hamiltonian parameters of molecular nanomagnets

T Gupta, G Rajaraman - Chemical Communications, 2016 - pubs.rsc.org
Molecular nanomagnets encompass a wide range of coordination complexes possessing
several potential applications. A formidable challenge in realizing these potential …

Azide chemistry–an inorganic perspective, Part I metal azides: overview, general trends and recent developments

WP Fehlhammer, W Beck - Zeitschrift für anorganische und …, 2013 - Wiley Online Library
Abstract With Sharpless' and Meldal's discovery of the immensely supportive effect that
metal catalysis has on Huisgen's classical 1, 3‐dipolar cycloaddition, azides (RN3)–long …

Synthesis, characterization and crystal structures of nickel (II) complexes derived from Schiff bases with antimicrobial activity

XY Qiu, SJ Liu - Polyhedron, 2024 - Elsevier
Two new acetate-bridged trinuclear nickel (II) complexes,[Ni 3 (L 1) 2 (NCS) 2 (CH 3 COO) 2
(CH 3 OH) 2](1),[Ni 3 (L 2) 2 (NCS) 2 (CH 3 COO) 2 (CH 3 OH)(OH 2)]· H 2 O (2), and two …

A rare phenoxido/acetato/azido bridged trinuclear and an unprecedented phenoxido/azido bridged one-dimensional polynuclear nickel (II) complexes: synthesis …

R Biswas, S Mukherjee, P Kar, A Ghosh - Inorganic Chemistry, 2012 - ACS Publications
The reaction of a tridentate Schiff base ligand HL (2-[(3-dimethylaminopropylimino)-methyl]-
phenol) with Ni (II) acetate or perchlorate salts in the presence of azide as coligand has led …

Magneto-structural studies on a number of doubly end-on cyanate and azide bridged dinuclear nickel (ii) complexes with {N 3 O} donor Schiff base ligands

NC Jana, M Jagodič, P Brandão, M Patra, R Herchel… - RSC …, 2023 - pubs.rsc.org
Two new doubly μ1, 1-N3 bridged (1 and 3) and six new doubly μ1, 1-NCO bridged NiII
complexes (2, 4–8) with six different N3O donor Schiff base ligands have been synthesized …

Cu II–azide polynuclear complexes of Cu 4 building clusters with Schiff-base co-ligands: synthesis, structures, magnetic behavior and DFT studies

S Mukherjee, PS Mukherjee - Dalton Transactions, 2013 - pubs.rsc.org
Three new copper–azido complexes [Cu4 (N3) 8 (L1) 2] n (1),[Cu4 (N3) 6 (L2) 2 (H2O) 2](2),
and [Cu4 (N3) 6 (L3) 2] n (3)[L1 is the imine resulting from the condensation of pyridine-2 …

Structure and magnetic behavior of unpredictable EE-azide bridged tetranuclear Mn (II) complex with ONO-donor hydrazone ligand and its transformation to dinuclear …

R Bikas, V Kuncser, J Sanchiz, G Schinteie, M Siczek… - Polyhedron, 2018 - Elsevier
The reaction of manganese (II) chloride tetrahydrate with sodium azide and ONO-donor
hydrazone ligand,(H 2 L=(E)-3-hydroxy-N′-((Z)-4-hydroxy-4-phenylbut-3-en-2-ylidene)-2 …

A New Family of Ni4 and Ni6 Aggregates from the Self-Assembly of [Ni2] Building Units: Role of Carboxylate and Carbonate Bridges

M Pait, A Bauzá, A Frontera, E Colacio… - Inorganic Chemistry, 2015 - ACS Publications
Carboxylato (R= tBu and Et) and carbonato bridges have been utilized for nickel (II)-based
aggregates [Ni4 (μ-H2L) 2 (μ3-OH) 2 (μ1, 3-O2CBut) 2](NO3) 2· H2O· 2DMF (1· H2O …