M. Riktor, Y. Filinchuk, P. Vajeeston
May 3, 2011
Citations
1
Influential Citations
28
Citations
Journal
Journal of Materials Chemistry
Abstract
The previously observed intermediate from thermal decomposition of Ca(BH4)2 has been identified as a calcium borohydride borate with composition Ca3(11BD4)3(11BO3), synthesized from a double-isotope substituted sample Ca(11BD4)2. The crystal structure was determined on the basis of Synchrotron Radiation Powder X-ray Diffraction, supported by infrared spectroscopy measurements. The stability of the structure at ambient conditions is confirmed by Density Functional Theory calculations. Ca3(11BH4)3(11BO3) is the first example of a product from a borohydride oxidation containing both B–H(D) and B–O bonds and represents a novel category of compounds, being completely different from the hydroxoborate products upon borohydride hydrolysis. The result represents hence an important contribution to fundamental boron chemistry.