ChemInform Abstract: Mass-Spectrometric Experiments Together with Electronic Structure Calculations Support the Existence of the Elusive Ammonia Oxide Molecule and Its Radical Cation.

Mass-Spectrometric Experiments together

Mass-Spectrometric Experiments together with Electronic Structure Calculations Support the Existence of the Elusive Ammonia Oxide Molecule and Its Radical Cation

✍ Mark Brönstrup; Detlef Schröder; Ilona Kretzschmar; Christoph A. Schalley; Helmu 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 400 KB 👁 1 views

Mass-spectrometric experiments were combined with ab 49.5 kcal mol -1 and 64.2 kcal mol -1 , respectively. Adiabatic ionization of 2 (IE a = 9.15 eV) yields 2 •+ , which is 21.4 kcal initio calculations to explore the cationic and neutral [H 3 ,N,O] •+/0 potential energy surfaces and relevant anioni