lstl_a_1686397_sm9644.docx (19.71 kB)
Excited state dipole moment of two pyridazinium-p-nitro-phenacylids estimated from solvatochromic study
journal contribution
posted on 2019-11-11, 15:28 authored by Liliana Mihaela Ivan, Dan Gheorghe Dimitriu, Antonina Gritco-Todirascu, Ana Cezarina Morosanu, Dana Ortansa Dorohoi, Corina ChepteaTwo pyridazinium-p-nitro-phenacylids with different structure of heterocycle are studied in this paper from quantum-mechanic and spectral point of view. The dipole moment and the polarizability of ylids in their ground electronic state estimated by HyperChem and the regression coefficients established in solvatochromic analysis are used to compute the excited state dipole moment of each ylid and the angle between the dipole moments in the ylid electronic states participating to the absorption process.