Full metadata record
DC Field | Value | Language |
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dc.contributor.author | Golec, Barbara | en_US |
dc.contributor.author | Das, Prasanta | en_US |
dc.contributor.author | Bahou, Mohammed | en_US |
dc.contributor.author | Lee, Yuan-Pern | en_US |
dc.date.accessioned | 2014-12-08T15:34:02Z | - |
dc.date.available | 2014-12-08T15:34:02Z | - |
dc.date.issued | 2013-12-19 | en_US |
dc.identifier.issn | 1089-5639 | en_US |
dc.identifier.uri | http://dx.doi.org/10.1021/jp407668z | en_US |
dc.identifier.uri | http://hdl.handle.net/11536/23407 | - |
dc.description.abstract | Protonated pyridine and its neutral counterparts (C5H6N) are important intermediates in organic and biological reactions and in the atmosphere. We have recorded the IR absorption spectra of the 1-pyriclinium (C5H5-NH+) cation, 1-pyridinyl (C5H5NH), and 4-pyridinyl (4-C5H6N) produced on electron bombardment during matrix deposition of a mixture of pyridine (C5H5N) and p-H-2 at 3.2 K; all spectra were previously unreported. The IR features of C5H5NH+ diminished in intensity after the matrix was maintained in darkness for 15 h, whereas those of C5H5NH and 4-C5H6N radicals increased. Irradiation of this matrix with light at 365 nm diminished lines of C5H5NH+ and C but enhanced lines of 4-C5H6N slightly, whereas irradiation at 405 nm diminished lines of 4-C5H6N significantly. Observed wavenumbers and relative intensities of these species agree satisfactorily with the anharmonic vibrational wavenumbers and IR intensities predicted with the B3LYP/6-31++G(d,p) method. Assignments of C5H5NH and 4-C5H6N radicals were further supported by the observation of similar spectra when a CI2/C5H5N5N/p-H-2 matrix was irradiated first at 365 nm and then with IR light to generate H atoms to induce the H + C5H5N reaction. | en_US |
dc.language.iso | en_US | en_US |
dc.title | Infrared Spectra of the 1-Pyridinium (C5H5NH+) Cation and Pyridinyl (C5H5NH and 4-C5H6N) Radicals Isolated in Solid para-Hydrogen | en_US |
dc.type | Article | en_US |
dc.identifier.doi | 10.1021/jp407668z | en_US |
dc.identifier.journal | JOURNAL OF PHYSICAL CHEMISTRY A | en_US |
dc.citation.volume | 117 | en_US |
dc.citation.issue | 50 | en_US |
dc.citation.spage | 13680 | en_US |
dc.citation.epage | 13690 | en_US |
dc.contributor.department | 應用化學系 | zh_TW |
dc.contributor.department | 應用化學系分子科學碩博班 | zh_TW |
dc.contributor.department | Department of Applied Chemistry | en_US |
dc.contributor.department | Institute of Molecular science | en_US |
dc.identifier.wosnumber | WOS:000328920200053 | - |
dc.citation.woscount | 1 | - |
Appears in Collections: | Articles |
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