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Spectroscopy Letters
An International Journal for Rapid Communication
Volume 53, 2020 - Issue 1
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Articles

Excited state dipole moment of two pyridazinium-p-nitro-phenacylids estimated from solvatochromic study

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Pages 1-11 | Received 11 Aug 2019, Accepted 25 Oct 2019, Published online: 11 Nov 2019
 

Abstract

Two 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.

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