Theoretical study of elementary reactions with participation of molecular hydrogen and light alkanes

Тонкие химические технологии

O. P. Charkin¹  N. M. Klimenko² 

[1] Институт проблем химической физики РАН,г. Черноголовка;МИТХТ им. М.В. Ломоносова;

关键词: potential energy surface;    elementary reactions;    hydrogenation;    methane oxidation;    complex alanates;    doped aluminum clusters;    oxoferrylporphyrin;   

DOI  :  

来源: DOAJ

【 摘 要 】

Review of results of quantum-chemical calculations of potential energy surfaces performed for several families of elementary reactions: 1) successive dehydrogenation of complex alanates of alkali and alkali-earth metals; 2) dissociative adsorption of hydrogen, methane and ethane molecules onto doped aluminum clusters Al@XAl11 with dopants X = B, C, Si, Ge, Li, and Ti; 3) conversion of mеthane into methanol in the presence of oxoferrylporphyrine complexes of (Fe=O)(P)(NН2) type.

【 授权许可】

Unknown