Kraus, Florian and Hanauer, Tobias and Korber, Nikolaus (2006) Nature of the chemical bond in polypnictides: The lone pair aromatic anions P-4(2-) and As-4(2-). INORGANIC CHEMISTRY, 45 (3). pp. 1117-1123. ISSN 0020-1669, 1520-510X
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The nature of the chemical bond in inorganic 6 pi aromatic systems such as P-4(2-), S-4(2+), or S2N2 is a matter of particular interest because the phenomenon of aromaticity is not as well established in these compounds as it is in the classic aromatic hydrocarbons. Here we present the synthesis, NMR spectra, and crystal structures of bis(potassium(18-crown-6))cyclotetraphosphide-ammonia(1/2) (K@18-crown-6)(2)P-4 center dot 2NH(3), bis(rubidium(18-crown-6))cyclotetraphosphide-cyclotetraarsenide-ammonia(1/3) (Rb@18-crown-6)(2)(P-4)(0.85)(AS(4))(0.15)center dot 3NH(3), both containing the 6 pi aromatic cyclotetraphosphicle anion, P-4(2-), and the synthesis and crystal structure of bis(potassium(18-crown6))cyclotetraarsenide (K@18-crown-6)(2)As-4. As a common motive, all three compounds feature neutral molecules with a tripleclecker-like coordination of the cyclotetrapnictide anion between two crown ether-coordinated alkali metal cations. With ab initio calculations on the HF level and by employing the concept of the electron localization function ELF, we established that the cyclotetraarsenide anion, AS(4)(2-), shows electron delocalization primarily through the lone pairs, as does P-4(2-), and may consequently also be described as lone pair aromatic.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | RAY CRYSTAL-STRUCTURE; ELECTRON LOCALIZATION; STRUCTURAL CHEMISTRY; INTERMETALLIC PHASES; POLYPHOSPHIDES; CATIONS; PHOSPHIDES; SALTS; DELOCALIZATION; COMPLEXES; |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Anorganische Chemie > Arbeitskreis Prof. Dr. Nikolaus Korber |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 23 Feb 2021 12:03 |
| Last Modified: | 23 Feb 2021 12:03 |
| URI: | https://pred.uni-regensburg.de/id/eprint/34946 |
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