화학공학소재연구정보센터
Inorganic Chemistry, Vol.54, No.3, 914-921, 2015
Ca12InC13-x and Ba12InC18H4: Alkaline-Earth Indium Allenylides Synthesized in AE/Li Flux (AE = Ca, Ba)
Two new complex main-group metal carbides were synthesized from reactions of indium, carbon, and a metal hydride in metal flux mixtures of an alkaline earth (AE = Ca, Ba) and lithium. Ca12InC13-x and Ba12InC18H4 both crystallize in cubic space group Im (3) over bar [a = 9.6055(8) and 11.1447(7) angstrom, respectively]. Their related structures are both built on a body-centered-cubic array of icosahedral clusters comprised of an indium atom and 12 surrounding alkaline-earth cations; these clusters are connected by bridging monatomic anions (either H- or C4-) and allenylide anions, C-3(4-). The allenylide anions were characterized by Raman spectroscopy and hydrolysis studies. Density of states and crystal orbital Hamilton population calculations confirm that both compounds are metallic.