Experimental and theoretical evidence of dihydrogen bonds in lithium amidoborane.

ABSTRACT: In situ high-pressure synchrotron X-ray diffraction, Raman scattering, and complementary first-principles calculations have revealed that structural and spectroscopic properties of lithium amidoborane compound are largely determined by multiple heteropolar dihydrogen bonds. The crystal structure of the compound is stabilized by dimeric complexes, wherein molecular ions bind together by intermolecular dihydrogen bonds of unconventional type. This strong intermolecular coupling determines stable character of the crystal structure in the pressure range up to ~ 30 GPa and is spectroscopically manifested by pronounced changes related to molecular vibrations of the amino group: the splitting of stretching modes, the anomalous behavior of wagging modes as well as Fermi resonance due to vibrationa

SUBMITTER: Magos-Palasyuk E 

PROVIDER: S-EPMC7567059 | biostudies-literature | 2020 Oct

REPOSITORIES: biostudies-literature