Square planar Ni(II) complexes of pyridine-4-carbonyl-hydrazine carbodithioate, 1-phenyl-3-pyridin-2-yl-isothiourea and 4-(2-methoxyphenyl)piperazine-1-carbodithioate involving N–S bonding: An approach to DFT calculation and thermal studies

Neutral and cationic half‐sandwich arene d6 metal complexes containing pyridyl and pyrimidyl thiourea ligands with interesting bonding modes: Synthesis, structural and anti‐cancer studies

“…The bond angle values S‐M‐Cl and Cl‐M‐Cl in neutral complexes ( 7 – 9 ) lay in the range of 87.7–95.5 ° (Table S3). The C‐S bond length in these complexes lies in the range of 1.671–1.689 Å agrees well with those in other related compounds for a C=S double bond coordinated to a metal atom . The C=O bond length lies in the range of 1.199–1.222 Å which purely indicates a double bond and which is not involved in coordination.…”

Synthesis, structural and chemosensitivity studies of arene d6 metal complexes having N‐phenyl‐N´‐(pyridyl/pyrimidyl)thiourea derivatives

“…The phenyl ring is effectively planar to that of the chelate ring. Further the C‐S bond distances in these complexes was found to be in the range of 1.686‐1.700 Å suggesting that it is intermediate between single C‐S (1.82 Å) and double C=S (1.56 Å) bond distances . The bond lengths in these complexes are normal and consistent with the к 2 ‐N,S‐ coordination of the thiourea derivatives which correlates well with reported values for similar complexes .…”

Cadmium‐Based Coordination Polymers from 1D to 3D: Synthesis, Structures, and Photoluminescent and Electrochemiluminescent Properties

“…All of the above calculations were performed in the Gaussian 09 package at the B3LYP level . 6–31 g basis set was chosen for H 2 L while Lanl2dz was employed as the basis set for complexes 1 – 8 . The crystal structures of 1 – 8 were acted as the initial structures, and molecular orbitals was mapped by the GaussView 5…”