Protonation Energies of 1–5-Ring Polycyclic Aromatic Nitrogen Heterocyclics: Comparing Experiment and Theory

Polycyclic nitrogen heterocyclic compounds (PANHs) can be protonated in the gas phase in mass spectrometry, in solution in acidic and biological environments, and if present, in interstellar clouds. Intrinsic molecular effects on PANH basicities can be observed by their gas phase protonation thermoc...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2015-01, Vol.119 (1), p.118-126
Hauptverfasser:	Wiseman, Alexander, Sims, Lacey A, Snead, Russell, Gronert, Scott, Maclagan, Robert G. A. R, Meot-Ner (Mautner), Michael
Format:	Artikel
Sprache:	eng
Schlagworte:	Affinity Basicity Computation Gas phases Heterocyclic Compounds - chemistry Mathematical analysis Molecular Structure Nitrogen Compounds - chemistry Photochemical Processes Polycyclic Aromatic Hydrocarbons - chemistry Protonation Quantum Theory Thermodynamics
Online-Zugang:	Volltext
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