Light on Molecules: Exploration of Coupled Electron and Nuclear Dynamics

A project funded by the Croatian Science Foundation (HRZZ).

The elucidation of the electronic and geometrical transformations that a molecular system undergoes after light irradiation, in order to dispose of the excess energy, is of fundamental importance for understanding energy conversion in nature. A proper understanding of these processes, which is of central importance to chemistry, is possible only through a synergistic combination of theoretical and experimental research.

Publications:

[9] A. Ponzi, N. Quadri, C. Angeli, P. Decleva,
Electron correlation effects in the photoionization of CO and isoelectronic diatomic molecules
Phys. Chem. Chem. Phys. 2019, 21, 1937-1951.

[8] A. Knežević, J. Novak, V. Vinković,
New Brush-Type Chiral Stationary Phases for Enantioseparation of Pharmaceutical Drugs
Molecules 2019, 24, 823.

[7] T. Došlić, I. Zubac,
Partition of pi-electrons among the faces of polyhedral carbon clusters
J. Math. Chem. 2018, 56, 2512-2524.

[6] A. Knežević, J. Novak, G. Pescitelli, V. Vinković,
Determination of the Absolute Configuration of (S)‐N‐(1‐Aryl‐allyl)‐3,5‐dinitrobenzamides and Their Elution Order on Brush‐Type Chiral Stationary Phases
Chem. Phys. 2018, 29, 3982-3991.

[5] M. Sapunar, T. Ayari, N. Došlić,
Comparative study of the photodynamics of malonaldehyde and acetylacetone
Chem. Phys. 2018, 515, 622-627.

[4] P. Lazić, M. Pinterić, D. Rivas Góngora, A. Pustogow, K. Treptow, T. Ivek, O. Milat, B. Gumhalter, N. Došlić, M. Dressel, and S. Tomić,
Importance of van der Waals interactions and cation-anion coupling in an organic quantum spin liquid
Phys. Rev. B. 2018, 97, 245134.

[3] R. J. Squibb, M. Sapunar, A. Ponzi, R. Richter, A. Kivimäki, O. Plekan, P. Finetti, N. Sisourat, V. Zhaunerchyk, T. Marchenko, L. Journel, R. Guillemin, R. Cucini, M. Coreno, C. Grazioli, M. Di Fraia, C. Callegari, K. C. Prince, P. Decleva, M. Simon, J. H. D. Eland, N. Došlić, R. Feifel, M. N. Piancastelli,
Acetylacetone photodynamics at a seeded free-electron laser
Nat. Commun. 2018, 9, 63.

[2] S. Chaiwongwattana, D. Sakalamera, N. Došlić, C. Bohne, N. Basarić,
Substitution pattern on anthrol carbaldehydes: excited state intramolecular proton transfer (ESIPT) with a lack of phototautomer fluorescence
Phys. Chem. Chem. Phys. 2017, 19, 28439-28449.

[1] J. Novak, A. Prlj, N. Basarić, C. Corminboeuf, N. Došlić,
Photochemistry of 1-and 2-Naphthols and Their Water Clusters: The Role of ππ*(La) Mediated Hydrogen Transfer to Carbon Atoms
Chem. Eur. J., 2017, 34, 8244-8251.

Duration of the project: 48 months
Starting date: 15. 03. 2017.
Financing: 985 000.00 HRK