NMR investigations on a series of diplatinum(II) complexes possessing phenylpropenoids in CDCl3 and CD3CN: Crystal structure of a mononuclear platinum complex

Reaction Pathways of Diplatinum Complexes Bearing a Phenylpropene‐ Derived π/σ‐Chelator with Weak/Strong σ‐Donor Neutral Ligands

“…In order to explore the reaction pathway of the diplatinum complexes with weak/strong σ ‐donor ligands, we choose [PtCl(Saf)(piperidine)] (IA) and [PtCl(Saf)(IBn)] (IB) as representatives among the stable complexes as elucidated above. The results show that the two isomers syn and anti of complex [Pt( μ ‐Cl)(Saf)] 2 [6d] have almost the same electronic energy with deviation of 0.036 eV or 3.47 kJ.mol −1 , or in other words, their stability is similar. Therefore, we performed the calculation for the reaction pathway of the anti ‐isomer as a representative case of study.…”

“…The interaction between the diplatinum complexes [Pt( μ ‐Cl)(arylolefin)] 2 with either various weak σ ‐donor L N,S,O ligands or various strong σ ‐donor NHCs ligands forms only the product [PtCl(arylolefin)(L N,S,O )] (structure A) or [PtCl(arylolefin)(NHC)] (structure B), respectively (Scheme 1), independent of conditions such as temperature (10—25 °C), solvent (acetone, ethanol, acetone‐water, acetone‐ethanol, chloroform), and reaction time (2‐24 hours) [6b,c,d,7,8] . This observation is also strengthened by the DFT calculations mentioned above.…”

“…Crystallization : The complexes 1 [6b,d] and 2 – 6 [8c] were prepared as previously reported (for details see the SI†).…”

“…[6] The interaction between these dimer complexes and various weak σ ‐donor ligands (with N, S, or O donor atoms) such as monodentate amines or coordinating solvents (L N,S,O ) afforded complexes [PtCl(arylolefin)(L N,S,O )], in which the L N,S,O ligand is at the cis position to the allyl group of arylolefin (structure A in Scheme 1). [6b,c,d,7] In contrast, the reaction of the diplatinum complexes with different strong σ ‐donor N ‐Heterocyclic Carbene (NHC) ligands gave complexes [PtCl(arylolefin)(NHC)] with the NHC in the trans position to the allyl group (structure B in Scheme 1). [8] Numerous complexes in the series of A and B exhibit potential anticancer activities [6c,7a,c,8c] …”

Zinc(II) Complex Containing Oxazole Ring: Synthesis, Crystal Structure, Characterization, DFT Calculations, and Hirshfeld Surface Analysis

“…22 Hirshfeld surface visualization, presentation of results as d norm , shape index, and curvedness, and calculation of 2D fingerprint plots with dean d e and d i distances were produced using the same software. 23…”