Molecular Descriptors—Spectral Property Relations for Characterizing Molecular Interactions in Binary and Ternary Solutions, Excited State Dipole Moment Estimation

Molecular Descriptors—Spectral Property Relations for Characterizing Molecular Interactions in Binary and Ternary Solutions, Excited State Dipole Moment Estimation

The nature and strength of the molecular interactions were established by solvatochromic studies of 22 binary and 42 ternary diluted solutions of pyridinium–carbethoxy–anilidomethylid (PCAnM). The visible absorption band of PCAnM, due to an intramolecular charge transfer (ICT) from the carbanion tow...

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Bibliographic Details
Main Authors: Dana Ortansa Dorohoi, Steluta Gosav, Ana Cezarina Moroșanu, Dan Gheorghe Dimitriu, Gabriela Apreotesei, Teodora Gosav
Format: Article
Language:English
Published: MDPI AG 2023-11-01
Series:Symmetry
Subjects:
PCAnM
solvatochromism
quantum chemical descriptors
interaction energy in the molecular pairs
statistical cell model of ternary solutions
Online Access:https://www.mdpi.com/2073-8994/15/11/2075

Internet

https://www.mdpi.com/2073-8994/15/11/2075

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