Paper Info
Title
The influence of tetrel bonds on the acidities of group 14 tetrafluoride - inorganic acid complexes
Abstract
Ab initio methods were used to determine the influence of tetrel bond formation on the acidity. The systems composed of inorganic acids and tetrafluorides of 14 group elements have been tested - HA/EF4, where HA = H2O, NH3, HF, HCN, HNC, HCNO, HOCN and E = C, Si, Ge, Sn or Pb. It turns out that the electron density flow involved with formation of tetrel bond to carbon-based systems leads to negligible increase in acidity. In the case of the acceptor compounds based on the remaining 14 group elements however, the effect is much more apparent, as most of those compounds may be considered a Bronsted superacids. The electronic stability of anions formed after the deprotonation of aforementioned complexes has been investigated. Vast majority of the anions were found to exhibit significant electron binding energies.
Year
DOI
Venue
2022
10.1002/jcc.26822
JOURNAL OF COMPUTATIONAL CHEMISTRY
Keywords
DocType
Volume
ab initio, acidity, superacid, tetrel bond
Journal
43
Issue
ISSN
Citations 
9
0192-8651
0
PageRank 
References 
Authors
0.34
0
1
Name
Order
Citations
PageRank
Jakub Brzeski100.34