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PROPRIETÀ MOLECOLARI MAGNETICHE E CHIROOTTICHE

Ci proponiamo di studiare più a fondo la topologia della densità di corrente e la possibilità di determinare la configurazione assoluta con tecniche chiroottiche. 2(n+1)=6 pubblicazioni selezionate: 1) Della Porta, P., Zanasi, R., Monaco, G., 2015. Hydrogen-hydrogen bonding: The current density perspective. Journal of Computational Chemistry 36, 707–716. doi:10.1002/jcc.23841 2) Jablonski, M., Monaco, G., 2013. Different Zeroes of Interaction Energies As the Cause of Opposite Results on the Stabilizing Nature of C–H···O Intramolecular Interactions. Journal of Chemical Information and Modeling 53, 1661–1675. doi:10.1021/ci400085t 3) Monaco, G., 2015. On the diatropic perimeter of iterated altan-molecules. Phys. Chem. Chem. Phys. 17, 28544–28547. doi:10.1039/C5CP05520B 4) Monaco, G., Porta, P.D., Jablonski, M., Zanasi, R., 2015. Topology of the magnetically induced current density and proton magnetic shielding in hydrogen bonded systems. Phys. Chem. Chem. Phys. 17, 5966–5972. doi:10.1039/C4CP05920D 5) Monaco, G., Zanasi, R., 2013. Investigation of the P-Coronene Series in the Context of the “annulene-Within-an-Annulene” Model by Means of Ipso-Centric Ab Initio Calculations of ¿-Electron Currents. Physical Chemistry Chemical Physics 15, 17654. doi:10.1039/c3cp52474d 6) Ruzziconi, R., Bellachioma, G., Ciancaleoni, G., Lepri, S., Superchi, S., Zanasi, R., Monaco, G., 2014. Cationic half-sandwich quinolinophaneoxazoline-based (¿6 -p-cymene)ruthenium( ii ) complexes exhibiting different chirality types: synthesis and structural determination by complementary spectroscopic methods. Dalton Trans. 43, 1636–1650. doi:10.1039/C3DT52291A