Open AccessSubstitution Reactions of the Aluminum Chlorogermylenoid H2GeClAlCl2 with with HF, H2O, NH3, HCl, H2S, and PH3
Author(s) -
Biao Yan,
Mingxia Zhang,
Wenzuo Li,
Chen Xiao,
Qingzhong Li,
Jianbo Cheng
Publication year - 2016
Publication title -
acta chimica slovenica
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.289
H-Index - 46
eISSN - 1580-3155
pISSN - 1318-0207
DOI - 10.17344/acsi.2015.2115
Subject(s) - chemistry , substitution reaction , reactivity (psychology) , dissociation (chemistry) , substitution (logic) , quantum chemical , aluminum hydride , transition state , computational chemistry , medicinal chemistry , photochemistry , organic chemistry , molecule , catalysis , medicine , alternative medicine , pathology , computer science , programming language , methoxide
Quantum chemical calculations have been performed for the substitution reactions of the aluminum chlorogermylenoid H2GeClAlCl2 with HF, H2O, NH3, HCl, H2S, and PH3 to get more insights into the reactivity of H2GeClAlCl2. The theoretical calculated results indicated that the substitution reactions of H2GeClAlCl2 with HF, H2O, NH3, HCl, H2S, and PH3 proceeded in a concerted manner. There were one transition state and one intermediate which connected the reactants and the products along the potential energy surface. The six substitution reactions of H2GeClAlCl2 with HF, H2O, NH3, HCl, H2S, and PH3 are compared with the addition reaction s of H2Ge with these hydrides. And based on the calculated results we concluded that the substitution reactions of H2GeClAlCl2 with these hydrides involve two steps, one is dissociation onto H2Ge with AlCl3, and the other is the addition reactions of H2Ge with HF, H2O, NH3, HCl, H2S, and PH3.