Quantum Mechanics Calculations, Basicity and Crystal Structure: The Route to Transition Metal Complexes of Azahelicenes

Quantum mechanics density functional calculations provided gas-phase electron distributions and proton affinities for several mono- and diaza[5]helicenes; computational results, together with experimental data concerning crystal structures and propensity to methylation of the nitrogen atom(s), provi...

Descripción completa

Detalles Bibliográficos
Autores principales: Caronna, Tullio, Castiglione, Franca, Famulari, Antonino, Fontana, Francesca, Malpezzi, Luciana, Mele, Andrea, Mendola, Daniele, Sora, Isabella Natali
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2012
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6268832/
https://www.ncbi.nlm.nih.gov/pubmed/22222906
http://dx.doi.org/10.3390/molecules17010463
Descripción
Sumario:Quantum mechanics density functional calculations provided gas-phase electron distributions and proton affinities for several mono- and diaza[5]helicenes; computational results, together with experimental data concerning crystal structures and propensity to methylation of the nitrogen atom(s), provide a basis for designing azahelicene complexes with transition metal ions.

Ejemplares similares