Tafazzoli Mohsen

Head of NMR facility

Department of Chemistry
Sharif University of Technology

Lab:66165319-66165362
Phone:(+9821) 66005718
Office: 66165305

[ Education ] [ Background ] [ Interests ] [Publications ] [ Courses Taught]

Educational Background

Ph.D. in Chemistry, University of California, Davis, 1992.

B.Sc. in Chemistry, National University of Iran, 1981.

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Professional Background

1993-2002. Sharif University of Technology, Chemistry Department.

2002-2003. Sabbatical Leave, University of McMaster, Hamilton, Ca.

2003-Present. Sharif University of Technology, Chemistry Department.

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Interests

Molecular Dynamics
Mont Carlo Simulation
Calculation of NMR parameters
Dynamic NMR spectroscopy liquid and gas phases
Study of intermolecular interaction both in liquid and gas phases
Structure characterization of carbohydrates

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Publications

S. K. Amini, H. Shaghaghi, A. D. Bain, A. Chabok and Mohsen Tafazzoli, Magnetic resonance tensors in uracil: Calculation of ¹³C, ¹⁵N, ¹⁷O NMR chemical Shifts, ¹⁷O and ¹⁴N electric field gradients and measurement of ¹³C and ¹⁵N chemical shifts, Solid State NMR, (in press).
H. Shaghaghi, H. Ebrahimi, Mohsen Tafazzoli and M. Jalali-Heravi, A survey of wave function effects on theoretical calculation of gas phase ¹⁹F NMR chemical shifts using factorial design, J Fluorine Chem., 131, 47-52 (2010).
H. Ebrahimi, Mohsen Tafazzoli and R. Islampour, A simple method for derivation of the rovibrational Hamiltonian: Application to orthogonal Radau coordinate systems as special cases, J. Iran. Chem. Soc., 7, 77-83 (2010).
A. Samadi-Maybodi, S. M. Pourali, Mohsen Tafazzoli, Aluminum solvate complexes forming in acidic methanol-acetone mixtures studied by ²⁷Al NMR spectroscopy, J Solution Chem, 38,159–169 (2009).
Mohsen Tafazzoli, M. Ghiasi, Structure and conformation of α-, β- and γ-cyclodextrin in solution: Theoretical approaches and experimental validation, Carbohydrate Polymers, 78, 10–15 (2009).
S. K. Amini, Mohsen Tafazzoli, H. A. Jenkins, G. R. Goward and A. D. Bain, Measurement and calculation of ¹³C and ¹⁵N NMR chemical-shift tensors of a push–pull ethylene, Can. J. Chem., 87, 563–570 (2009).
Mohsen Tafazzoli, S. K. Amini, Theoretical ¹³C chemical shift, ¹⁴N, and ²H quadrupole coupling-constant studies of hydrogen bonding in L-alanylglycine dipeptide, Magn. Reson. Chem., 46, 370–376 (2008).
S. K. Amini, Mohsen Tafazzoli, DFT calculations as a powerful technique to probe the crystal structure of Al(acac)₃ , Magn. Reson. Chem., 46, 1045-1050 (2008).
H. Ebrahimi, Mohsen Tafazzoli, Derivation of the rovibrational Hamiltonian based on tensor form: A new approach to generalized internal coordinates depending on the external parameters, Molecular Physics, 106, 2263-2269 (2008).
H. Ebrahimi, Mohsen Tafazzoli, A new proof of the molecular Hamiltonian in Radau coordinates for triatomic molecules based on tensor form, Molecular Physics, 106, 643-648 (2008).
Mohsen Tafazzoli, H. Shaghaghi, M. Jalali-Heravi, Calculations of gas phase ¹H NMR chemical shifts of alcohols: An approach to optimize basis functions using factorial design, Concepts in Magnetic Resonance Part A, 32, 157–167 (2008).
Mohsen Tafazzoli, H. Shaghaghi, M. Jalali-Heravi, Prediction of gas-phase ¹³C nuclear magnetic shielding constants using ONIOM and optimally selected basis functions, Concepts in Magnetic Resonance Part A, 32, 449-461 (2008).
Mohsen Tafazzoli, A. Khanlarkhani, Solvation thermodynamics of hydroxyl and carbonyl group in supercritical CO₂ by Monte Carlo simulations, Chemical Physics Letters, 458, 308–312 (2008).
Mohsen Tafazzoli, A. Khanlarkhani, Study of self-association of water in supercritical CO₂ by Monte Carlo simulation: Does water have a specific interaction with CO₂? Fluid Phase Equilibria, 139, 1185-1189 (2008).
H. R. Darabi, M. Azimzadeh Arani, Mohsen Tafazzoli and M. Ghiasi, Conformational study of a strained tolanophane by dynamic ¹H NMR spectroscopy and computational methods, Monatsh Chem (2008).
Mohsen Tafazzoli, M. Ghiasi and M. Moridi, Dynamic stereochemistry of erigeroside by measurement of ¹H–¹H and ¹³C–¹H coupling constants, Spectrochimica Acta Part A, 70, 350-357 (2008).
Mohsen Tafazzoli, A. Ziyaei-Halimjani, M. Ghiasi, M. Fattahi and M.R. Saidi, Dynamic NMR studies of N-benzoyl pyrrolidine and N-benzoyl piperidine derivatives, Journal of Molecular Structure, 886, 24-31 (2008).
F. Matloubi Moghddam, M. Moridi Farimani, S. Taheri, Mohsen Tafazzoli and G. Amin, Chemical constituents from Salvia macrosiphon, Chemistry of Natural Compounds, 44, 518, (2008).
M. Ghiasi, Mohsen Tafazzoli and N. Safari, Role of axial ligand on the electronic structures of active intermediates in cytochrome P-450, peroxidase and catalase, Journal of Molecular Structure: THEOCHEM, 820, 18–25 (2007).
Mohsen Tafazzoli, M. Ghiasi, Conformational study of anomeric center in some carbohydrate derivatives, Journal of Molecular Structure: THEOCHEM, 814, 127–130 (2007).
Mohsen Tafazzoli, M. Ghiasi, New Karplus equations for ²JHH, ³JHH, ²JCH, ³JCH, ³JCOCH, ³JCSCH, and ³JCCCH in some aldohexopyranoside derivatives as determined using NMR spectroscopy and density functional theory calculations, Carbohydrate Research, 342, 2086–2096 (2007).
Mohsen Tafazzoli, A. Ziyaei-Halimjani, M. Ghiasi, M. Fattahi and M.R. Saidi, Dynamic NMR studies of N-benzoyl pyrrolidine and N-benzoyl piperidine derivatives, Journal of Molecular Structure, 886, 24-31 (2008).
H. Ebrahimi, Mohsen Tafazzoli, The vibration-rotation kinetic energy operator for sequentially bonded tetra-atomic molecules in internal coordinates, Molecular Physics, 105, 2269-2278 (2007).
Mohsen Tafazzoli, A. Khanlarkhani, Investigation of the enhanced solubility of fluorinated methanes in CO₂ by Monte Carlo simulation: Absolute free energy of solvation and structural properties of solution, Journal of Supercritical Fluids, 40, 40–49 (2007).
Mohsen Tafazzoli, A. Khanlarkhani, Theoretical investigation of the enhanced solubility of perfluorobenzene in the supercritical carbon dioxide as a function of temperature and density by Monte Carlo simulation, Chemical Physics Letters, 444, 48–55 (2007).
Mohsen Tafazzoli, S. K. Amini, A survey of hydrogen bonding in imidazole and its 4-nitro derivative by ab initio and DFT calculations of chemical shielding, Chemical Physics Letters, 431, 421–427 (2006).
S. Jalili, Mohsen Tafazzoli and M. Jalali-Heravi, Comparison of multiple linear regression and artificial neural networks in predicting octanol/water partition coefficient of a variety of organic molecules, Journal of Theoretical and Computational Chemistry, 2, 335-344 (2003).
I. Yavari, M. Aghazadeh and Mohsen Tafazzoli, Triphenylphoshine-catalyzed simple synthesis of dimethyl 1-aryl-4-ethoxy-5-oxo-4,5-dihydro-1H-pyrrole-2,3-dicarboxylates, Phosphorus, Sulfur and Silicon, 177, 1101–1107 (2002).
Mohsen Tafazzoli, S. Jalili, Monte Carlo simulation of 2-ethoxyethanol in continuum configurational biased procedure: conformational analysis and association in aqueous and non-aqueous media, Theor Chem Acc, 107, 162–172 (2002).
Mohsen Tafazzoli, S. Jalili, Study of association of 2-methoxyethanol in the aqueous phase, Theor Chem Acc, 106, 194-198 (2001).
Mohsen Tafazzoli, S. Jalili, The Study of Interaction of Disubstituted Benzenes and Water by Using Monte Calor Simulations, Journal of Molecular Liquids, 89, 19-31 (2000).
Mohsen Tafazzoli, S. Jalili, Absolute partition coefficients for organic solutes by using Monte Carlo simulations in chloroform/water system, Chemical Physics Letters, 331, 235-242 (2000).
Mohsen Tafazzoli, M. Jalali-Heravi and A. Khanlarkhani, Monte Carlo simulation of the influence of urea on the self-association of propan-1-ol in water, Phys. Chem. Chem. Phys, 1, 2479-2485 (1999).
C. Suarez, Mohsen Tafazzoli, N. S. True, S. Gerrard, C. B. LeMaster, C. L. LeMaster, Gas-phase ¹H NMR study of N-ethyl-N-methyl amides: Torsional barrier and conformer equilibria around the peptide bond, Journal of Physical Chemistry, 99, 8170-8176 (1995).
Mohsen Tafazzoli, C. Suarez, N. S. True, C. B. LeMaster and C. L. LeMasret, The ring inversion of gaseous N-Methyl Piperazine Pressure and temperature Dependent, H NMR Studies, Journal of Molecular Structure, 317, 137-145 (1994).
Mohsen Tafazzoli, S. Gerrard, N. S. True, C. L. LeMaster, Gas and solution phase NMR studies of N-ethylmorpholine intra-and inter molecular effect on ring inversion rate constants, Journal of Molecular Structure, 317, 131-136 (1994).
Mohsen Tafazzoli, C. Suarez, N. S. True, C. L. LeMaster and C. B. LeMaster, Pressure and temperature dependent H NMR studies of N-methyl piperidine ring inversion in the gas phase, Journal of Physical Chemistry, 96, 1021-10205 (1992).
P.O. Moreno, C. Suarez, Mohsen Tafazzoli, N. S. True, C.B. LeMaster, Gas-phase NMR study of the degenerate cope rearrangement of bullvalene, Journal of Physical Chemistry, 96, 10206-10212 (1992).
C. Suarez, Mohsen Tafazzoli, N. S. True, Gas-phase NMR spectra of cyclohexene are consistent with a barrier to ring inversion of less than 30 kJ mol^-1, Journal of Molecular Structure, 271, 89-94 (1992).
C. B. LeMaster, C. L. LeMaster, Mohsen Tafazzoli, C. Suarez, N. S. True, Pressure- and temperature-dependent ¹H NMR studies of N-methylmorpholine ring inversion, Journal of Physical Chemistry, 94, 3461-3466 (1990).
C. B. LeMaster, C. L. LeMaster, Mohsen Tafazzoli, C. Suarez, N. S. True, Gas-phase ¹H NMR studies of 1,3,5-trimethylhexahydro-1,3,5-Triazine, Journal of Physical Chemistry, 92, 5933-5936 (1988).

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Courses Taught

General Chemistry

Physical Chemistry

Quantum Chemistry

Molecular Spectroscopy

Advanced NMR Spectroscopy

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