Nitriles with High Gas-Phase Basicity—Part II Transmission of the Push–Pull Effect through Methylenecyclopropene and Cyclopropenimine Scaffolds Intercalated between Different Electron Donor(s) and the Cyano N-Protonation Site

Nitriles with High Gas-Phase Basicity—Part II Transmission of the Push–Pull Effect through Methylenecyclopropene and Cyclopropenimine Scaffolds Intercalated between Different Electron Donor(s) and the Cyano N-Protonation Site

This work extends our earlier quantum chemical studies on the gas-phase basicity of very strong N-bases to two series of nitriles containing the methylenecyclopropene and cyclopropenimine scaffolds with dissymmetrical substitution by one or two electron-donating substituents such as Me, NR<sub>...

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Bibliographic Details
Main Authors: Ewa D. Raczyńska, Jean-François Gal, Pierre-Charles Maria, Ghulam Sakhi Sakhawat, Mohammad Qasem Fahim, Hamid Saeidian
Format: Article
Language:English
Published: MDPI AG 2022-07-01
Series:Molecules
Subjects:
nitrile basicity in the gas phase
methylenecyclopropene and cyclopropenimine scaffolds
geometrical and rotational isomerism
substituent effects
electron delocalization
DFT studies
Online Access:https://www.mdpi.com/1420-3049/27/14/4370

Internet

https://www.mdpi.com/1420-3049/27/14/4370

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