Breaking inversion symmetry by protonation: experimental and theoretical NEXAFS study of the diazynium ion, N<sub>2</sub>H<sup>+</sup>
Rafael C. Couto, Weijie Hua, Rebecka Lindblad, Ludvig Kjellsson, S. L. Sörensen, Markus Kubin, Christine Bülow, Martin Timm, Vicente Zamudio‐Bayer, Bernd von Issendorff, Johan Söderström, J. Tobias Lau, Jan‐Erik Rubensson, Hans Ågren, Vincenzo Carravetta
Abstract
ion. Both types containing rich physical effects not represented in NEXAFS of neutral molecules because of the positive charge, whereas protonation also breaks the symmetry. The effect of the protonation on dinitrogen can be separated in charge, which extends the high-energy part of the spectrum, and symmetry-breaking, which is most clearly seen in the low-energy π* transition.
Topics & Concepts
ProtonationXANESIonPoint reflectionPhysicsChemistryPhysical chemistryAtomic physicsCrystallographyComputational chemistryCondensed matter physicsSpectral lineQuantum mechanicsSpectroscopy and Quantum Chemical StudiesAdvanced Chemical Physics StudiesAtomic and Molecular Physics