Gas-phase basicity of cyclic guanidine derivatives – a DFT study
Author:
Affiliation:
1. Laboratory for Physical-organic Chemistry, Division of Organic Chemistry and Biochemistry
2. Ruđer Bošković Institute
3. Zagreb
4. Croatia
Abstract
Density functional theory calculations (B3LYP) were employed in the study of gas-phase basicity (GB) and pKa of three different types of cyclic guanidines differing in the number of nitrogen atoms incorporated in rings.
Funder
Hrvatska Zaklada za Znanost
Publisher
Royal Society of Chemistry (RSC)
Subject
Materials Chemistry,General Chemistry,Catalysis
Link
http://pubs.rsc.org/en/content/articlepdf/2021/NJ/D0NJ04589F
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4. Asymmetric Synthesis of (−)-Martinellic Acid
5. The structure of zetekitoxin AB, a saxitoxin analog from the Panamanian golden frog Atelopus zeteki: A potent sodium-channel blocker
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