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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Format: | Article |
Language: | English |
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MDPI AG
2023-12-01
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Series: | Molecules |
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Online Access: | https://www.mdpi.com/1420-3049/28/24/8157 |