The Physical Chemistry Research GroupThe Physical Chemistry Research GroupDr. Mohammad Reza Gholami

Email: Gholami@sharif.edu

Kinetics and Mechanism study Kinetics and Mechanism study (experimental and theoretical) of (experimental and theoretical) of

reaction in gas, liquid and solid phase reaction in gas, liquid and solid phase

Part APart A

Members:� Mohammad Hagghu (Ph.D Student)

� Mehdi Irani (Ph.D Student)

� Mohammad Izadyar (Ph.D Graduated)

Publications:

• M.R.Gholami, M.Hagghu, M.Irani, Theoretical study of kinetics andmechanism of reactions of Hydroxylamine and amineoxide anion with methyliodide in gas and aqueous phases, Progress in Reaction Kinetics and Mechanism,2007; 32; 29–50.

• M.R.Gholami, M.Hagghu, M.Irani, Theoretical study of solvent and substituteeffect on reaction of cyclopentadiene and cyclohexadiene derivatives with 1,4-Benzoquinone, Progress in Reaction Kinetics and Mechanism , In Press.

Part CPart C

Members:

� Mohammad Khodadadi Moghadam (Ph.D Student)� Mahboubeh Tasviri (Ph.D Student)� Elahe Abolhasani (M.Sc Graduated)� Rahman Aziznejad (M.Sc Student)

Publications:

• M.Khodadadi-Moghaddam, M.R.Gholami, Materials Letters, 2006; 60; 715-719.• M.Khodadadi-Moghaddam, A.Habibi-Yangjeh, M.R.Gholami, Ionic liquideffects on the kinetics of Heterogeneous Catalytic Hydrogenation, Applied CatalysisA:General, In Press.

reaction in gas, liquid and solid phase reaction in gas, liquid and solid phase

Part D

Nanostructure Materials

Part CKinetic study of several heterogeneous

catalytic reactions in molecular solvents, ionic liquids, and their mixtures

Part BSolvent effect studies on kinetics of

several organic reaction in mixture of ionic liquid and molecular solvents

Part ATheoretical study of kinetics and

mechanism of reactions in gas and liquid phase

Part BPart B

Members:

�Ali Reza Harifi-Mood (Ph.D Student) �Azadeh Besharati (M.Sc Graduated)� Marziyeh-sadat Masumpour (M.Sc Graduated)

Publications:• A.R. Harifi-Mood, M.R.Gholami, S.Haghighi, Fluorometric variable-temperature kinetic investigation of the transesterification reaction of procainewith aliphatic alcohols, J. Pharm. Pharmaceut.Sci., 2004; 7(1); 88-91.

• A.R. Harifi-Mood, A.Habibi-Yangieh, M.R.Gholami, Solvent effects onkinetics of the reaction between 2-chloro-3,5-dinitropyridine and aniline inaqueous and alcoholic solutions of [bmim]BF4, International Journal ofChemical Kinetics, 2007; 39; 681-687.

• A.R. Harifi-Mood, A.Habibi-Yangjeh, M.R.Gholami, SolvatochromicParameters for Binary Mixtures of 1-(1-Butyl)-3-methylimidazoliumTetrafluoroborate with Some Protic Molecular Solvents, J. Phys.Chem. B.,2006; 110(13); 7073-7078.

• A.R. Harifi-Mood, M.R.Gholami, M.S.Masumpour, Solvent parameterseffects on the second-order rate constants of the reaction of 2-chloro-,5-dinitropyridine with aniline in aqueous solutions of alcohols, Progress inReaction Kinetics and Mechanism, 2006; 31; 117-127.

Part DPart D

Members:

� Sara Rahimnejad (Ph.D Student)� Shahnaz Ghasemi (M.Sc Graduated)� Mohammad Reza Elahifard (M.Sc Graduated)� Faramarz Sadeghzadeh (M.Sc Student)� Saeedeh Moazami (M.Sc Graduated)� Maryam Azimzadeh (M.Sc Student)� Mitra Zarezadeh ( M.Sc Student)

Publications:

• S.Rahimnejad, Sh.Rahmansetayesh, M.R.Gholami, A credible role of copperoxide on structure of nanocrystalline mesoporous titanium dioxide, Journal of theIranian Chemical Society, In Press.• M.R.Elahifard, S.Rahimnejad, S.Haghighi, M.R.Gholami, Apatite-coatedAg/AgBr/TiO2 visible-light photocatalyst for destruction of bacteria, Journal of theAmerican Chemical Society, 2007; 129 (31); 9552-9553.• S.Rahimnejad, Sh.Ghasemi, M.R.Gholami, “Nanocrystalline TiO2 using ionicliquid assisted photocatalytic degradation of azo dyes in aqueous solution”,Euronanoforum 2007, 19-21 June, Dusseldorf (Germany), Congress CenterDusseldorf (Germany).

• M.R.Gholami, M.Izadyar, M.Hagghu, DFT calculations on the retro-enereactions, part II:allyl n-propyl sulfide pyrolysis in the gas phase,Theochem.

Kinetics and Mechanism study Kinetics and Mechanism study (experimental and theoretical) (experimental and theoretical)

of reaction in gas, of reaction in gas, liquid and solid phase liquid and solid phase

Part APart A

Members:� Mehdi Irani (Ph.D Graduated)

� Masoumeh Omidi (M.Sc Graduated)

Publications:

• M. R. Gholami, M. Haghgu, M. Irani, A joint experimental and theoretical study ofkinetic and mechanism of rearrangement of allyl p-tolyl ether, Journal of MolecularStructure, 2009; 893, 73–76.

• M. R. Gholami, M. Haghgu, M. Irani, Theoretical study of protic solventshydrogen bonding effect, on the reaction of cyclopentadiene and vinyl acetate; apartfrom the bulk properties, Journal of Molecular Structure, 2009; 909, 86-90.

• M. R. Gholami, M. Izadyar, M. Haghgu, DFT calculations on the retro-enereactions, part II:allyl n-propyl sulfide pyrolysis in the gas phase, Theochem, 2004;686, 37-42.

Part CPart C

Members:

� Mohammad Khodadadi Moghadam (Ph.D Graduated)� Mahboubeh Tasviri (Ph.D Student)� Mohsen Padervand (Ph.D Student)� Reza Vatan (M.Sc Graduated)

Publications:

• M. Khodadadi-Moghaddam, A. Habibi-Yangjeh, M. R. Gholami, Journal ofMolecular Catalysis A, 2009; 306, 11-16.• M. Padervand, M. Tasviri, M. R. Gholami, Chemical Papers, 2010; In Press.• M. Tasviri, H. A. Rafiee Pour, H. Ghourchian, Journal of Molecular Catlaysis B, 2010; In Press

Part D

Nanostructured Materials

Part CKinetic study of several heterogeneouscatalytic reactions in molecular solvents,

ionic liquids, and their mixtures

Part BSolvent effect studies on

kinetics of several organic reaction in mixture

of ionic liquid and molecularsolvents

Part ATheoretical study of kinetics and

mechanism of reactions in gasand liquid phase

Part BPart B

Members:

�Ali Reza Harifi-Mood (Ph.D Graduated) � Hadi Salari (Ph.D Student)� Javad Jamali (M.Sc Graduated)� Saeid Ahmadvand (M.Sc Student)

Publications:• A. R. Harifi-Mood, A. Habibi-Yangjeh, and M. R. Gholami, SolvatochromicParameters for Binary Mixtures of 1-(1-Butyl)-3-methylimidazoliumTetrafluoroborate with Some Protic Molecular Solvents, J. Phys. Chem. B, 2006;110, 7073–7078.

• H. Salari, A. R. Harifi-Mood, M. R. Elahifard and M. R. Gholami,Solvatochromic Probes Absorbance Behavior in Mixtures of 2-HydroxyEthylammonium Formate with Methanol, Ethylene Glycol and Glycerol, Journalof Solution Chemistry, 2010; 39, 1509-1519.

• H. Salari, M. Khodadadi-Moghaddam, A. R. Harifi-Mood and M. R. Gholami,Preferential Solvation and Behavior of Solvatochromic Indicators in Mixtures ofan Ionic Liquid with Some Molecular Solvents, J. Phys. Chem. B, 2010; 114,9586–9593.

Part DPart D

Members:

� Sara Rahimnejad (Ph.D Graduated)� Shahnaz Ghasemi (Ph.D Student)� Mohammad Reza Elahifard (Ph.D Student)� Leila Zeid Abadi (M.Sc Student)�Atefeh Rahmani (M.Sc Student)� Neda Mohaghegh ( M.Sc Graduated)

Publications:

• M. R. Elahifard, S. Rahimnejad, S. Haghighi, M. R. Gholami, Apatite-coated Ag/AgBr/TiO2 visible-light photocatalyst for destruction of bacteria, Journal of the American Chemical Society, 2007; 129, 9552-9553. • Sh. Ghasemi, S. Rahimnejad, Sh. Rahman Setayesh, H. Hosseini, M. R. Gholami,Progress in Reaction Kinetics and Mechansim, 2009; 34, 55-76.• S. Ghasemi, S. Rahimnejad, S. Rahman Setayesh, S. Rohani, M. R. Gholami, Journal of Hazardous Materials, 2009; 172, 1572-1578.