Affiliation:
1. Xi’an Modern Chemistry Research Institute
2. Lanzhou University
Abstract
Abstract
To understand the detailed reaction mechanisms and sodium with hydrogen fluoride, theoretical investigations were carried out. The results suggest that the reaction between Na and HF leads to the formation sodium fluoride salt NaF and hydrogen gas. The detailed reaction mechanism of this process was discussed and illustrated. The resultant NaF can further form larger cluster like (NaF)4 tetramer, and NaF as well as (NaF)4 tetramer can adsorb HF molecule to form strong complex, and the adsorption mechanism was also uncovered.
Publisher
Research Square Platform LLC