1402662-13-8

Basic information

• Product Name: (2,2'-bipyridine)(phenylethylene-1,2-dithiolate)platinum(II)
• CAS NO: 1402662-13-8
• Molecular Weight: 517.535
• Mol File: 1402662-13-8.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (2,2'-bipyridine)(phenylethylene-1,2-dithiolate)platinum(II)(CAS DataBase Reference)
• NIST Chemistry Reference: (2,2'-bipyridine)(phenylethylene-1,2-dithiolate)platinum(II)(1402662-13-8)
• EPA Substance Registry System: (2,2'-bipyridine)(phenylethylene-1,2-dithiolate)platinum(II)(1402662-13-8)

Safety Data

• Hazardous Substances Data: 1402662-13-8(Hazardous Substances Data)

Upstream product

• 939-11-7 4-phenyl-1,3-dithiol-2-one 
• 13965-31-6 dichloro(2,2'-bipyridine)platinum(II) 

Relevant articles and documents

Structure-property relationships in PtII diimine-dithiolate nonlinear optical chromophores based on arylethylene-1,2-dithiolate and 2-thioxothiazoline-4,5-dithiolate

Eighteen new [PtII(NN)(SS)] complexes [23-40; NN = diimine: 2,2'-bipyridine, 1,10-phenanthroline and alkyl/aryl-substituted derivatives; SS = arylethylene-1,2-dithiolate (R-edt2-: R = phenyl, 2-naphthyl, 1-pyrenyl), N-substituted 2-thioxothiazoline-4,5-dithiolate (R-dmet 2-: R = methyl, ethyl, phenyl)] have been synthesized and characterized by spectroscopic (UV/Vis/NIR, fluorescence) and electrochemical (CV) measurements. Single-crystal X-ray diffraction analysis allowed structural characterization of five of the complexes (27-29, 31, and 37). Structural modifications capable of affecting the nature and energies of the frontier molecular orbitals in these systems were assessed and hybrid DFT and time-dependent (TD) DFT calculations, carried out both in the gas phase and in the presence of several solvents (CH2Cl2, CHCl 3, CH3CN, acetone, thf, dmf, dmso, and toluene), allowed the trends observed in the voltammetric data and in the energies of the peculiar solvatochromic visible absorption bands to be rationalized. In addition, to evaluate the second-order nonlinear optical properties of 23-40, first static hyperpolarizability values βtot were calculated both in the gas phase and in CH2Cl2, the highest values being obtained for [Pt(NN)(Me-dmet)] complexes (NN = 4,4'-diphenyl-2,2'-bipyridine and 4,7-diphenyl-1,10-phenanthroline; βtot = 691 × 10 -30 and 604 × 10-30 esu, respectively). Eighteen [Pt(NN)(SS)] complexes (NN = diimine; SS = arylethylene-1,2-dithiolate, N-substituted 2-thioxothiazoline-4,5-dithiolate) have been prepared. All complexes feature a notable negative solvatochromism and potential SONLO properties on the basis of their GS electronic structures. Copyright