Step-by-Step Replacement of Cyano Groups by Tricyanovinyls—The Influence on the Acidity

Acid-base properties are the simplest expression of compounds’ coordinating ability. In the present work, we studied in silico how the gas-phase Brønsted acidity (GA) of several polycyano-substituted compounds change when cyano (CN) groups are replaced by 1,2,2-tricyanovinyl (TCNV) groups in (iso)cy...

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Bibliographic Details
Main Author: Agnes Kütt
Format: Article
Language:English
Published: MDPI AG 2023-12-01
Series:Molecules
Subjects:
Online Access:https://www.mdpi.com/1420-3049/28/24/8157