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pro vyhledávání: '"Andrey V. Kulsha"'
Publikováno v:
International Journal of Molecular Sciences, Vol 25, Iss 16, p 8716 (2024)
Theoretical design of molecular superbases has been attracting researchers for more than twenty years. General approaches were developed to make the bases potentially stronger, but less attention was paid to the stability of the predicted structures.
Externí odkaz:
https://doaj.org/article/b7a593a69b6a43448a734af7f0372e13
Publikováno v:
The Journal of Physical Chemistry A. 126:3642-3652
Brønsted superbases have wide applications in organic chemistry due to their ability to activate C-H bonds. The strongest neutral bases to date are substituted aminophosphazenes developed in the late 1980s by Reinhard Schwesinger. Since then, much e
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::96d3a156ede03d0bd204865ba552b02b
https://doi.org/10.1021/acs.jpca.2c00521
https://doi.org/10.1021/acs.jpca.2c00521
Autor:
Andrey V. Kulsha, Dmitry I. Sharapa
Publikováno v:
Journal of computational chemistry, 40 (26), 2293–2300
A superhalogen $\rm{F@C_{20}(CN)_{20}}$ and a corresponding Br{\o}nsted superacid were designed and investigated on DFT and DLPNO-CCSD(T) levels of theory. Calculated compounds have outstanding electron affinity and deprotonation energy, respectively
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bd41f9f5f8f4fabaa90536e0f779763b
https://pubmed.ncbi.nlm.nih.gov/31254480
https://pubmed.ncbi.nlm.nih.gov/31254480