Synthesis, X-ray structure, spectroscopic properties and DFT studies of some dithiocarbazate complexes of nickel(II)

Design, synthesis and X‐ray structural studies of novel [acetonitrile‐benzyl‐3‐N‐(2, 4 dihydroxyphenylmethylene) hydrazinecarbodithioato‐κ3‐N′, S, O] nickel(ll) complex that potently inhibit cell proliferation through regulation of apoptosis related genes

“…In addition to these intraligand transitions, the complex showed a strong absorption band at 430 nm for the S → Ni, which is basically charge transfer in nature. Moreover, the complex also showed a very week broad band in the region 690–795 nm for the d‐d transition, diagnostic to the square‐planar nickel(II) as supported by the diamagnetic behavior of the complex …”

“…The solution electronic spectrum of the Schiff base in DMSO showed bands at 295, 325, 350, 365 and 395 nm, tentatively assigned to the π → π* (ring), π → π* (CH=N), n → π* (CH=N), π → π* (dithiocarbazate) and n → π* (dithiocarbazate) transitions, respectively . The presence of π → π* (dithiocarbazate) band also supported the existence of the thione tautomeric form in the free ligand.…”

“…The complex crystallizes in orthorhombic system with space group P na2 1 . The crystal structure shows that the complex adopts a four coordinate configuration with the Schiff base coordinated to the nickel(ll) ion in its deprotonated form as a dinegative tridentate ONS chelating agent via its thiolate sulfur, azomethine nitrogen and phenolate oxygen atoms as observed in other orthohydroxy benzaldehyde Schiff bases of S‐benzyldithiocarbazate (SBDTC) or S‐methyldithiocarbazate (SMDTC) . The fourth coordination site in the square planar geometry of the nickel(ll) ion is occupied by a nitrogen atom of acetonitrile molecule used as solvent during crystallization.…”

Synthesis and Crystal Structure of Anickel (II) and Zinc (II) Complex From 1,5-Bis [(2-Thiophenyl) Methylidene] Thiocarbonohydrazide

“…Inspection of the bond lengths indicates that the ligand is coordinated to the Ni(II) ions in his thiolato form. Indeed the bonds length C11-S3 with 1.724(4) Å value is consistence with a simple bond [22]. Thevalues of bond lengths C5-N4 (1.281 (5) Symmetry codes: (i) −x+2, y+1/2, −z+3; (ii) −x+2, y−1/2, −z+2.…”

“…The UV-Vis spectrum was recorded in methanol solution in the range of 260-800 nm for nickel(II) complex.LMCT bandsobserved at 424nm and 450 nm can be assigned respectively to N→Ni andS→Nicharge transfer. The high intensity charge transfer (CT) band S→Nihide some of the three expected transitions corresponding to 1 A 1g  1 A 2g , 1 A 1g  1 B 1g and 1 A 1g  1 E g for square planar Ni(II) complex [22].Only a weak broad band in the 520-600 nm region is attributed to the square planar Nickel(II) d-d transition. These observations coupled to X-ray crystal structure analysis support a square-planar geometry for the nickel(II) complex.…”