Photoelectron Spectroscopic Characterization of the Niobium−Benzene Anion Produced by Reaction of Niobium with Ethylene
We report the 488 nm photoelectron spectrum of the NbC6H6 - anion produced by reaction with ethylene in a flow tube reactor equipped with a niobium cold cathode discharge source. The vibrationally resolved photoelectron spectrum of the mass-selected NbC6H6 - product is the same as that obtained upon...
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| Veröffentlicht in: | Journal of the American Chemical Society 2007-03, Vol.129 (12), p.3482-3483 |
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| container_title | Journal of the American Chemical Society |
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| creator | Miller, Stephen R Marcy, Timothy P Millam, Evan L Leopold, D. Geller |
| description | We report the 488 nm photoelectron spectrum of the NbC6H6 - anion produced by reaction with ethylene in a flow tube reactor equipped with a niobium cold cathode discharge source. The vibrationally resolved photoelectron spectrum of the mass-selected NbC6H6 - product is the same as that obtained upon reaction with benzene. Through comparison with the results of density functional calculations, the observed state of NbC6H6 - is assigned as the 3A1 ground state of an η6 Nb−benzene complex. Photodetachment transitions access the 2A1 ground state of neutral NbC6H6 and an excited state 0.713 ± 0.004 eV higher in energy, also assigned as a 2A1 state. Vibrational frequencies for the totally symmetric modes active in each transition are reported for the protonated and perdeuterated complexes. The electron affinity of NbC6H6 is 0.893 ± 0.006 eV. |
| doi_str_mv | 10.1021/ja068568g |
| format | Article |
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Geller</creator><creatorcontrib>Miller, Stephen R ; Marcy, Timothy P ; Millam, Evan L ; Leopold, D. Geller</creatorcontrib><description>We report the 488 nm photoelectron spectrum of the NbC6H6 - anion produced by reaction with ethylene in a flow tube reactor equipped with a niobium cold cathode discharge source. The vibrationally resolved photoelectron spectrum of the mass-selected NbC6H6 - product is the same as that obtained upon reaction with benzene. Through comparison with the results of density functional calculations, the observed state of NbC6H6 - is assigned as the 3A1 ground state of an η6 Nb−benzene complex. Photodetachment transitions access the 2A1 ground state of neutral NbC6H6 and an excited state 0.713 ± 0.004 eV higher in energy, also assigned as a 2A1 state. Vibrational frequencies for the totally symmetric modes active in each transition are reported for the protonated and perdeuterated complexes. 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Geller</creatorcontrib><title>Photoelectron Spectroscopic Characterization of the Niobium−Benzene Anion Produced by Reaction of Niobium with Ethylene</title><title>Journal of the American Chemical Society</title><addtitle>J. Am. Chem. Soc</addtitle><description>We report the 488 nm photoelectron spectrum of the NbC6H6 - anion produced by reaction with ethylene in a flow tube reactor equipped with a niobium cold cathode discharge source. The vibrationally resolved photoelectron spectrum of the mass-selected NbC6H6 - product is the same as that obtained upon reaction with benzene. Through comparison with the results of density functional calculations, the observed state of NbC6H6 - is assigned as the 3A1 ground state of an η6 Nb−benzene complex. Photodetachment transitions access the 2A1 ground state of neutral NbC6H6 and an excited state 0.713 ± 0.004 eV higher in energy, also assigned as a 2A1 state. Vibrational frequencies for the totally symmetric modes active in each transition are reported for the protonated and perdeuterated complexes. 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Vibrational frequencies for the totally symmetric modes active in each transition are reported for the protonated and perdeuterated complexes. The electron affinity of NbC6H6 is 0.893 ± 0.006 eV.</abstract><cop>United States</cop><pub>American Chemical Society</pub><pmid>17341080</pmid><doi>10.1021/ja068568g</doi><tpages>2</tpages></addata></record> |
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| title | Photoelectron Spectroscopic Characterization of the Niobium−Benzene Anion Produced by Reaction of Niobium with Ethylene |
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