화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.108, No.7, 1103-1106, 2004
Identification of the (H-)(H-2)(12) hydride anion cluster in solid hydrogen
Pulsed-laser ablation of metals with normal hydrogen [deuterium] condensing at 3.5 K produces a strong 3972.0 [2869.8] cm(-1) absorption the same as high energy irradiation of solid hydrogen [deuterium]. New experimental observations and quantum chemical calculations show that these charge centers are (H-)(H-2)(n) [(D-)(D-2)(n)] anion clusters, which have not been observed in the gas phase and are unique to solid hydrogen. First, doping our H-2 [D-2] samples with CCl4, a very efficient electron scavenger, replaces the above absorptions with new 4067.0 [2925.6] cm(-1) bands, which are due to the (Cl-)(HA, [(Cl-)(D-2)(n)] anion clusters. Second, (H-)(H-2)(n) is destroyed by lambda > 290 nm but restored with 193 nm radiation through photoionization of metal atoms to produce electrons for capture by H atoms. Third, model MP2 calculations for (H-)(H-2)(6) with the D-6h structure, which is a contracted portion of the solid hydrogen lattice, strongly supports these new assignments and suggests that the complex has the same coordination number 12 as the hydrogen lattice. Thus. (H-)(H-2)(12) cluster anions are characterized in the solid hydrogen microcrystal.