Benassi

Enrico Benassi, PhD


Department: Chemistry
Position: Assistant Professor
Degree:
Office:
Email: enrico.benassi@nu.edu.kz
Phone: +7 (7172) 709110

Enrico Benassi received his Ph.D. in theoretical Physical Chemistry-Chemical Physics from the University of Modena and Reggio Emilia, Italy, with a thesis focused on new theoretical models for the description of the electronic energy transfer and quantum transport in molecular systems. He then spent a few years at the S3 Institute of Nanoscience and Nanotechnology CNR, investigating optomechanical properties of Self-Assembled Monolayers of azo-photoswitchers on noble metal surfaces. He subsequently moved to the Scuola Normale Superiore of Pisa, where he specialised in the theoretical and computational description of solvent effects and nonlinear optical properties, theories of the electronic structure, and theoretical and computational spectroscopies.

 


RESEARCH INTERESTS

Theoretical Spectroscopy and Nonlinear Optics; Electronic and Vibronic Excited States; Theoretical and computational description of the interaction of molecules with surfaces, nanoparticles, aggregates, and solvent; Molecular topology and Bader theory; QM/MM and DFT methods; Properties and dynamics of the excited states; Exciton Transfer; Theoretical studies on energy pseudo-particles and charge particles photo-induced transfer, matrix elements dynamics calculations for such processes; Organic Photo-Voltaics; Nonequilibrium Green’s Functions theory; Quantum molecular electron transport and spintronics; Theoretical and computational studies of the properties of new molecular systems and complex systems of biological, pharmaceutical, medical and technological interest; Computational simulations and software development for scientific calculations.


SELECTED PUBLICATIONS

[1]

Sukhikh, T.S.; Komarov, V.Yu.; Konchenko, S.N.; Benassi, E. (2017) The Hows and Whys of Peculiar Coordination of 4-Amino-2,1,3-Benzothiadiazole, Dalton Transactions, just accepted.

[2]

Koskin, I.; Mostovich, E.; Benassi, E.; Kazantsev, M. (2017) On the Way to Highly Emissive Materials: Increasing of Rigidity by Introduction of Furan Moiety in Co-Oligomers. Journal of Physical Chemistry C, 2017, 121 (42), p. 23359–23369.

[3]

Tantardini, Ch.; Benassi, E. (2017) Topology vs Thermodynamics in Chemical Reactions: The Instability of PH5, Physical Chemistry Chemical Physics, 2017, 19, p. 27779-27785.

[4]

Prosanov, I. Yu.; Benassi, E. (2017) Structure of hybrid interpolymeric complexes of polyvinyl alcohol and halides of second group elements, Advances in Materials Science and Engineering, 2017, 2017, p. 4931082-1 – 4931082-6.

[5]

Lugovik, K.I.; Eltyshev, A.K.; Benassi, E.; Belskaya, N.P. (2017) New Promising Method for the Challenging Synthesis of 5-Acyl-2-Amino-3-Cyanothiophenes: Chemistry and Fluorescent Properties, Chemistry – An Asian Journal, DOI: 10.1002/asia.201700721.

[6]

Lugovik, K.I.; Popova, A.V.; Eltyshev, A.K.; Benassi, E.; Belskaya, N.P. (2017) Synthesis of Thiazoles Bearing Aryl Enamine/Aza-enamine Side Chains. Effect of the π-Conjugated Spacer Structure and Hydrogen Bonding on Photophysical Properties, European Journal of Organic Chemistry, 2017(28), p. 4175-4187.

[7]

Eliseeva, A.I.; Nesterenko, O.O.; Slepukhin, P.A.; Benassi, E.; Belskaya, N.P. (2017) Synthesis and Fluorescent Behaviour of 2-Аryl-4,5-Dihydro-1H-1,2,4-triazoles, Journal of Organic Chemistry, 82 (1), p. 86-100.

[8]

Benassi, E. (2017) Benchmarking of Density Functionals for a Soft but Accurate Prediction and Assignment of 1H and 13C NMR Chemical Shifts in Organic and Biological Molecules, Journal of Computational Chemistry, 38 (2), p. 87-92.

[9]

Gavlik, K. D.: Sukhorukova, E. S.; Shafran, Yu. M.; Slepukhin, P. A.; Benassi, E.; Belskaya, N. P. (2017) 2-Aryl-5-Amino-1,2,3-Triazoles: New Effective Blue-Emitting Fluorophores, Dyes and Pigments, 136, p. 229-242.

[10]

Prosanov, I. Yu.; Benassi, E.; Bulina, N.V.; Matvienko, A.A. (2017) Structure and Properties of Self-Assembling Low-Dimensional Hybrid Materials: the Case of Cadmium Halides in Polyvinyl Alcohol, Current Inorganic Chemistry, (2016) 6(3), p. 155-161.