Hydrogen-mediated affinity of ions found in compressed potassium amidoborane, K[NH2BH3]

The paper reports on the experimental and theoretical investigation of bonding properties of potassium amidoborane, (K[NH2BH3]), which is one of the most promising compounds for hydrogen storage material among metallated derivatives of ammonia borane (NH3BH3). For this purpose, in situ Raman spectroscopy, synchrotron X-ray diffraction measurements and complementary ab initio calculations study have been performed under static pressure conditions in the range from ambient pressure up to 25 GPa. Unusual interplay between strong electrostatic and weak dispersive interactions has been revealed, resulting in experimental observation of pressure induced formation of relatively strong conventional hydrogen bonding between negatively charged molecular ions. This finding provides new insight for tailoring materials with desirable properties for various uses.