Synthesis and Characterization of [XeOXe](2+) in the Adduct-Cation Salt, [CH3 CN- - -XeOXe- - -NCCH3 ][AsF6 ]2
Acetonitrile and [FXeOXe- - -FXeF][AsF6 ] react at -60 °C in anhydrous HF (aHF) to form the CH3 CN adduct of the previously unknown [XeOXe](2+) cation. The low-temperature X-ray structure of [CH3 CN- - -XeOXe- - -NCCH3 ][AsF6 ]2 exhibits a well-isolated adduct-cation that has among the shortest Xe-N...
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Published in | Angewandte Chemie International Edition Vol. 55; no. 39; pp. 11917 - 11920 |
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Main Authors | , , |
Format | Journal Article |
Language | English |
Published |
Germany
19.09.2016
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Subjects | |
Online Access | Get full text |
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Summary: | Acetonitrile and [FXeOXe- - -FXeF][AsF6 ] react at -60 °C in anhydrous HF (aHF) to form the CH3 CN adduct of the previously unknown [XeOXe](2+) cation. The low-temperature X-ray structure of [CH3 CN- - -XeOXe- - -NCCH3 ][AsF6 ]2 exhibits a well-isolated adduct-cation that has among the shortest Xe-N distances obtained for an sp-hybridized nitrogen base adducted to xenon. The Raman spectrum was fully assigned by comparison with the calculated vibrational frequencies and with the aid of (18) O-enrichment studies. Natural bond orbital (NBO), atoms in molecules (AIM), electron localization function (ELF), and molecular electrostatic potential surface (MEPS) analyses show that the Xe-O bonds are semi-ionic whereas the Xe-N bonds may be described as strong electrostatic (σ-hole) interactions. |
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Bibliography: | ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23 |
ISSN: | 1521-3773 |
DOI: | 10.1002/anie.201606851 |