Quantum chemical study of the interaction of acetylene with lithium hydroxide and hydrosulfide

Autor:	T. É. Moskovskaya, N. M. Vitkovskaya, Boris A. Trofimov
Rok vydání:	1987
Předmět:	chemistry.chemical_compound Nucleophile Acetylene Chemistry Electrophile Physical chemistry Hydroxide Molecule General Chemistry Photochemistry Triple bond Chemical reaction Lithium hydroxide
Zdroj:	Bulletin of the Academy of Sciences of the USSR Division of Chemical Science. 36:94-97
ISSN:	1573-9171 0568-5230
DOI:	10.1007/bf00953855
Popis:	1. Calculations using the MNDO method have been carried out for the intermediate and end products of the interaction between the acetylene and vinylidene molecules with molecules of LiOH and LiSH, and possible pathways for these reactions have been suggested. 2. The optimal structures and the energies of formation of thermodynamically stable anions formed by the interaction of−SH and−OH with the molecules C2H2 and H2CC have been obtained, and it has been demonstrated that Li+ contributes to the nucleophilic attachment of the−OH and−SH anions to the triple bond to the same degree that the nucleophile contributes to the attachment of the electrophile Li+.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::27ce40adaaa40fcafa4e283a2c3252d3 https://doi.org/10.1007/bf00953855 Zobrazit plný text záznamu Full text from SpringerLink