Gas‐Phase Infrared Spectroscopy and Multidimensional Quantum Calculations of the Protonated Ammonia Dimer N₂H₇⁺

Abstract

Zero-point energy matters: In strong, low-barrier hydrogen bonds, quantum effects cause a structural symmetrization (see picture). Together with the pronounced anharmonicity of vibrational motion, this situation gives rise to peculiar infrared (IR) spectral signatures in the region below 2000 cm−1. For the shared proton in N2H7+, the IR spectrum is elucidated by combining two experimental techniques with anharmonic quantum calculations. Supporting information for this article is available on the WWW under http://www.wiley-vch.de/contents/jc_2002/2007/z702607_s.pdf or from the author. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.