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https://doi.org/10.5562/cca3258

The Hydrogen-bond Basicity of Carbenes

Michael H. Abraham
José Elguero
Ibon Alkorta   ORCID icon orcid.org/0000-0001-6876-6211

Puni tekst: engleski, pdf (2 MB) str. 121-124 preuzimanja: 498* citiraj
APA 6th Edition
Abraham, M.H., Elguero, J. i Alkorta, I. (2018). The Hydrogen-bond Basicity of Carbenes. Croatica Chemica Acta, 91 (1), 121-124. https://doi.org/10.5562/cca3258
MLA 8th Edition
Abraham, Michael H., et al. "The Hydrogen-bond Basicity of Carbenes." Croatica Chemica Acta, vol. 91, br. 1, 2018, str. 121-124. https://doi.org/10.5562/cca3258. Citirano 05.03.2021.
Chicago 17th Edition
Abraham, Michael H., José Elguero i Ibon Alkorta. "The Hydrogen-bond Basicity of Carbenes." Croatica Chemica Acta 91, br. 1 (2018): 121-124. https://doi.org/10.5562/cca3258
Harvard
Abraham, M.H., Elguero, J., i Alkorta, I. (2018). 'The Hydrogen-bond Basicity of Carbenes', Croatica Chemica Acta, 91(1), str. 121-124. https://doi.org/10.5562/cca3258
Vancouver
Abraham MH, Elguero J, Alkorta I. The Hydrogen-bond Basicity of Carbenes. Croatica Chemica Acta [Internet]. 2018 [pristupljeno 05.03.2021.];91(1):121-124. https://doi.org/10.5562/cca3258
IEEE
M.H. Abraham, J. Elguero i I. Alkorta, "The Hydrogen-bond Basicity of Carbenes", Croatica Chemica Acta, vol.91, br. 1, str. 121-124, 2018. [Online]. https://doi.org/10.5562/cca3258

Sažetak
We have evaluated theoretically in the gas-phase (MP2/aug-cc-pVTZ) the hydrogen-bond basicity of simple carbenes and vinylidenes and compared them to the corresponding nitrogen and oxygen derivatives using HF as Lewis acid. These values fit conveniently with B values only if sp3 and sp2 atoms are treated separately, which is a consequence of the gas-phase (calculated) vs. solution (measured) effects.

Creative Commons License This work is licensed under a Creative Commons Attribution 4.0 International License.

Ključne riječi
carbenes; N-heterocyclic carbenes; Gas-phase MP2 calculations; hydrogen-bond basicity (HBB); β scale of HBB

Hrčak ID: 196047

URI
https://hrcak.srce.hr/196047

Posjeta: 702 *