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کاربرد نوع شرط:
- جایگاه : پژوهشی
- مجله: Inorganic Chemistry Research
- نوع مقاله: Journal Article
- کلمات کلیدی: Platinum,Oxidative addition,DFT investigation
- چکیده:
- چکیده انگلیسی: Dimethylplatinum(II) complex [PtMe2(pbt)], 1, with pbt = 2(2pyridyl)benzothiazole ligand, can react with dichloromethane solvent to give the corresponding organoplatinum(IV) complex [Pt(Cl)(CH2Cl)Me2(pbt)]. The reaction gives exclusively trans addition product in which Cl and CH2Cl are located trans to each other. The suggested mechanism for this oxidative addition reaction was computationally investigated and related species during this process are proposed. DFT calculations show that the reaction proceeds through a transition state with the energy barrier of 97.5 kJ/mol. Attempts to grow crystals of the Pt(II) complex 1 in CH2Cl2/nhexane mixture of solvents forms the dichloro Pt(IV) complex [PtCl2Me2(bpt)], which its structure is determined by X-ray crystallography.
- انتشار مقاله: 10-04-1399
- نویسندگان: Fatemeh Niroomand Hosseini,Fatemeh Niknam
- مشاهده
- جایگاه : پژوهشی
- مجله: Inorganic Chemistry Research
- نوع مقاله: Journal Article
- کلمات کلیدی: Platinum,Oxidative addition,kinetic and mechanism
- چکیده:
- چکیده انگلیسی: Reaction of [PtMe(C^N)(SMe2)] (C^N = 2-phenylpyridinate (ppy); 1a, C^N = benzo[h]quinolate, (bhq); 1b) with hydrogen peroxide gives the platinum(IV) complexes trans-[PtMe(OH)2(C^N)(H2O)] (C^N = ppy; 3a, C^N = bhq, 3b) bearing platinum-oxygen bonds. The Pt(II) complexes 1a and 1b have 5dπ(Pt)→π*(C^N) MLCT band in the visible region which is used to easily follow the kinetic of its reaction with H2O2. The kinetics and mechanism of Pt−O bond formation have been experimentally and theoretically investigated, showing the simple second-order kinetics; rate = k2[H2O2][Pt(II) complex]. The Pt(IV) products were characterized by NMR spectroscopy and elemental analysis. The geometries and the nature of the frontier molecular orbitals of Pt(IV) complexes containing Pt-O bonds were also studied by means of the density functional theory. Complex 3b is unstable during the crystallization process in CH2Cl2/acetone and gives the binuclear complex [Pt2Me2(Cl)2(μ-OH)2(bhq)2], 4.
- انتشار مقاله: 12-09-1398
- نویسندگان: Elahe Hadadi,S. Masoud Nabavizadeh,Fatemeh Niroomand Hosseini
- مشاهده
- جایگاه : پژوهشی
- مجله: Inorganic Chemistry Research
- نوع مقاله: Journal Article
- کلمات کلیدی: Mechanism,Platinum,Oxidative addition,Kinetic study,Variable temperature kinetic
- چکیده:
- چکیده انگلیسی: The pseudo-first order rate constants and activation parameters have been determined using two methods, constant-temperature kinetic (CTK) and variable temperature kinetic (VTK), for the oxidative addition reactions of [Pt2Me2(C^N)2(µ-dppf)], (1a, C^N = deprotonated 2-phenylpyridine (ppy); 1b, C^N = deprotonated benzo[h]quinoline (bhq)) with MeI. The results obtained from VTK method are in agreement with those obtained at CTK method, but there are significant advantages to determine the kinetic reaction parameters under VTK method including time and chemicals saving.
- انتشار مقاله: 10-03-1398
- نویسندگان: Fatemeh Niroomand Hosseini,Fatemeh Niroomand Hosseini,Fatemeh Niroomand Hosseini
- مشاهده
- جایگاه : پژوهشی
- مجله: Inorganic Chemistry Research
- نوع مقاله: Journal Article
- کلمات کلیدی: Platinum,Oxidative addition,DFT investigation
- چکیده:
- چکیده انگلیسی: Dimethylplatinum(II) complex [PtMe2(pbt)], 1, with pbt = 2(2pyridyl)benzothiazole ligand, can react with dichloromethane solvent to give the corresponding organoplatinum(IV) complex [Pt(Cl)(CH2Cl)Me2(pbt)]. The reaction gives exclusively trans addition product in which Cl and CH2Cl are located trans to each other. The suggested mechanism for this oxidative addition reaction was computationally investigated and related species during this process are proposed. DFT calculations show that the reaction proceeds through a transition state with the energy barrier of 97.5 kJ/mol. Attempts to grow crystals of the Pt(II) complex 1 in CH2Cl2/nhexane mixture of solvents forms the dichloro Pt(IV) complex [PtCl2Me2(bpt)], which its structure is determined by X-ray crystallography.
- انتشار مقاله: 10-04-1399
- نویسندگان: Fatemeh Niroomand Hosseini,Fatemeh Niknam
- مشاهده
- جایگاه : پژوهشی
- مجله: Inorganic Chemistry Research
- نوع مقاله: Journal Article
- کلمات کلیدی: Platinum,Oxidative addition,kinetic and mechanism
- چکیده:
- چکیده انگلیسی: Reaction of [PtMe(C^N)(SMe2)] (C^N = 2-phenylpyridinate (ppy); 1a, C^N = benzo[h]quinolate, (bhq); 1b) with hydrogen peroxide gives the platinum(IV) complexes trans-[PtMe(OH)2(C^N)(H2O)] (C^N = ppy; 3a, C^N = bhq, 3b) bearing platinum-oxygen bonds. The Pt(II) complexes 1a and 1b have 5dπ(Pt)→π*(C^N) MLCT band in the visible region which is used to easily follow the kinetic of its reaction with H2O2. The kinetics and mechanism of Pt−O bond formation have been experimentally and theoretically investigated, showing the simple second-order kinetics; rate = k2[H2O2][Pt(II) complex]. The Pt(IV) products were characterized by NMR spectroscopy and elemental analysis. The geometries and the nature of the frontier molecular orbitals of Pt(IV) complexes containing Pt-O bonds were also studied by means of the density functional theory. Complex 3b is unstable during the crystallization process in CH2Cl2/acetone and gives the binuclear complex [Pt2Me2(Cl)2(μ-OH)2(bhq)2], 4.
- انتشار مقاله: 12-09-1398
- نویسندگان: Elahe Hadadi,S. Masoud Nabavizadeh,Fatemeh Niroomand Hosseini
- مشاهده
- جایگاه : پژوهشی
- مجله: Inorganic Chemistry Research
- نوع مقاله: Journal Article
- کلمات کلیدی: Mechanism,Platinum,Oxidative addition,Kinetic study,Variable temperature kinetic
- چکیده:
- چکیده انگلیسی: The pseudo-first order rate constants and activation parameters have been determined using two methods, constant-temperature kinetic (CTK) and variable temperature kinetic (VTK), for the oxidative addition reactions of [Pt2Me2(C^N)2(µ-dppf)], (1a, C^N = deprotonated 2-phenylpyridine (ppy); 1b, C^N = deprotonated benzo[h]quinoline (bhq)) with MeI. The results obtained from VTK method are in agreement with those obtained at CTK method, but there are significant advantages to determine the kinetic reaction parameters under VTK method including time and chemicals saving.
- انتشار مقاله: 10-03-1398
- نویسندگان: Fatemeh Niroomand Hosseini,Fatemeh Niroomand Hosseini,Fatemeh Niroomand Hosseini
- مشاهده