Quantum mechanics calculations, basicity and crystal structure: the route to transition metal complexes of azahelicenes.
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ABSTRACT:
SUBMITTER: Caronna T
PROVIDER: S-EPMC6268832 | biostudies-literature | 2012 Jan
REPOSITORIES: biostudies-literature
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Quantum mechanics calculations, basicity and crystal structure: the route to transition metal complexes of azahelicenes.
Caronna Tullio T Castiglione Franca F Famulari Antonino A Fontana Francesca F Malpezzi Luciana L Mele Andrea A Mendola Daniele D Sora Isabella Natali IN
Molecules (Basel, Switzerland) 20120105 1
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. ...[more]
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