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INFRARED SPECTROSCOPIC EVIDENCE FOR $NeHF^{-}$ AND $HFFH^{-}$ TRAPPED IN SOLID NEON

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/19454

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Title: INFRARED SPECTROSCOPIC EVIDENCE FOR $NeHF^{-}$ AND $HFFH^{-}$ TRAPPED IN SOLID NEON
Creators: Lugez, Catherine L.; Jacox, Marilyn E.; Johnson, Russell D., III
Issue Date: 1999
Abstract: When a Ne:HF mixture is subjected to Penning ionization and/or photoionization by neon atoms in their first excited states, between 16.6 eV and 16.85 eV, and the products are rapidly frozen at approximately 5 K, the infrared spectrum of the resulting deposit includes absorptions assigned to $NeHF^{+}$ and $HFFH^{+}$. Evidence is presented suggesting that neon-matrix shifts may be anomalously large for protonated molecules which are derived from species with proton affinities near or below 550 kJ/mol. Theresults of earlier ab initio studies, as well as those of the present experimental and an initio studies, indicate that the $NeHF^{+}$ complex is quite strongly bound. The $\nu_{3}$ absorptions of $NeHF^{-}$ and $NeDF^{+}$ are identified, and the $\nu_{1} + \nu_{3}$ absorption of $NeHF^{+}$ is tentatively identified. An absorption at $3064.7 cm^{-1}$ has isotopic substitution behavior appropriate for its assignment to $HFFH^{+}$. Density functional and more elaborate ab initio calculations support this assignment.
URI: http://hdl.handle.net/1811/19454
Other Identifiers: 1999-TD-01
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