Hydrogen-adduction to open-shell graphene fragments: spectroscopy, thermochemistry and astrochemistry

We apply a combination of state-of-the-art experimental and quantum-chemical methods to elucidate the electronic and chemical energetics of hydrogen adduction to a model open-shell graphene fragment. The lowest-energy adduct, 1H-phenalene, is determined to have a bond dissociation energy of 258.1 kJ...

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Detalles Bibliográficos
Autores principales: O'Connor, Gerard D., Chan, Bun, Sanelli, Julian A., Cergol, Katie M., Dryza, Viktoras, Payne, Richard J., Bieske, Evan J., Radom, Leo, Schmidt, Timothy W.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Royal Society of Chemistry 2017
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5369534/
https://www.ncbi.nlm.nih.gov/pubmed/28451259
http://dx.doi.org/10.1039/c6sc03787a

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5369534/
https://www.ncbi.nlm.nih.gov/pubmed/28451259
http://dx.doi.org/10.1039/c6sc03787a

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