covalent and non-covalent noble gas bonding interactions in xefn derivatives (n = 2–6): a combined theoretical and icsd analysis
Clicks: 226
ID: 140553
2020
Article Quality & Performance Metrics
Overall Quality
Not rated
Combines reader engagement with the AI quality analysis. This
article has not been analysed, so there is no overall score —
reader engagement is measured and shown alongside.
Reader Engagement
Emerging Content
30.0
/100
226 views
46 readers
AI Quality Assessment
Not analyzed
Readership in this journal
EmergingRanked #45 of 57 articles by views in spatium
Most read
Least read
Bar heights use a square-root scale.
Mint this article as an NFT
Not yet mintedCreate a permanent, verifiable on-chain record of this article on the Scimatic Network. The NFT is held in your Journament account, and you can withdraw it to your own wallet at any time.
5
SUSD
one-off · no wallet required
Abstract
A noble gas bond (also known in the literature as aerogen bond) can be defined as the attractive interaction between any element of group-18 acting as a Lewis acid and any electron rich atom of group of atoms, thus following the IUPAC recommendation available for similar π,σ-hole interactions involving elements of groups 17 (halogens) and 16 (chalcogens). A significant difference between noble gas bonding (NgB) and halogen (HaB) or chalcogen (ChB) bonding is that whilst the former is scarcely found in the literature, HaB and ChB are very common and their applications in important fields like catalysis, biochemistry or crystal engineering have exponentially grown in the last decade. This article combines theory and experiment to highlight the importance of non-covalent NgBs in the solid state of several xenon fluorides [XeFn]m+ were the central oxidation state of Xe varies from +2 to +6 and the number of fluorine atoms varies from n = 2 to 6. The compounds with an odd number of fluorine atoms (n = 3 and 5) are cationic (m = 1). The Inorganic Crystal Structural Database (ICSD) strongly evidences the relevance of NgBs in the solid state structures of xenon derivatives. The ability of Xe compounds to participate in π,σ-hole interactions has been studied using different types of electron donors (Lewis bases and anions) using DFT calculations (PBE1PBE-D3/def2-TZVP) and the molecular electrostatic potential (MEP) surfaces.
| Reference Key |
gomila2020frontierscovalent
Use this key to autocite in the manuscript while using
SciMatic Manuscript Manager or Thesis Manager
|
|---|---|
| Authors | ;Rosa M. Gomila;Antonio Frontera |
| Journal | spatium |
| Year | 2020 |
| DOI |
10.3389/fchem.2020.00395
|
| URL | |
| Keywords |
Citations
No citations found. To add a citation, contact the admin at info@scimatic.org
Comments
No comments yet. Be the first to comment on this article.