AI Article Synopsis
- A dimer consisting of a non-solvated alkyl-substituted Al(I) anion was created through a mechanochemical reduction of a haloalumane precursor.
- Analysis of its structure and electronic properties was conducted using crystallographic and theoretical methods.
- Experimental XPS results showed that lower Al 2p binding energy indicates a lower oxidation state of Al, and these findings were supported by delta SCF calculations, showing a linear correlation with NPA charges and 2p orbital energies.
Article Abstract
A non-solvated alkyl-substituted Al(I) anion dimer was synthesized by a reduction of haloalumane precursor using a mechanochemical method. The crystallographic and theoretical analysis revealed its structure and electronic properties. Experimental XPS analysis of the Al(I) anions with reference compounds revealed the lower Al 2p binding energy corresponds to the lower oxidation state of Al species. It should be emphasized that the experimentally obtained XPS binding energies were reproduced by delta SCF calculations and were linearly correlated with NPA charges and 2p orbital energies.
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| http://dx.doi.org/10.1002/chem.202303073 | DOI Listing |
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