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DC Field | Value | Language |
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dc.contributor.author | Singh, Santosh K. | en_US |
dc.contributor.author | Vaishnav, Jamuna K. | en_US |
dc.contributor.author | DAS, ALOKE | en_US |
dc.date.accessioned | 2019-04-26T09:15:23Z | |
dc.date.available | 2019-04-26T09:15:23Z | |
dc.date.issued | 2016-09 | en_US |
dc.identifier.citation | Journal of Chemical Physics, 145(10), 104302. | en_US |
dc.identifier.issn | 0021-9606 | en_US |
dc.identifier.issn | 089-7690 | en_US |
dc.identifier.uri | http://dr.iiserpune.ac.in:8080/xmlui/handle/123456789/2538 | - |
dc.identifier.uri | https://doi.org/10.1063/1.4962358 | en_US |
dc.description.abstract | In this study, interplay between a strong hydrogen bond and a very weak n → π* interaction has been probed through experiment for the first time. We have used resonant 2-photon ionization, Infrared-ultraviolet double resonance spectroscopy, and quantum chemistry calculation to determine the structures of 7-azaindole⋯2,6-difluoropyridine and 7-azaindole⋯2,3,5,6-tetrafluororpyridine complexes, which are stabilized by both hydrogen bonding and n → π* interaction. The structures of the complexes studied in the present work have been compared with the double hydrogen bonded (N–H⋯N and C–H⋯N) planar structure of 7-azaindole⋯2-fluoropyridine. It has been found that the strength of the N–H⋯N hydrogen bond in the 7-azaindole⋯2,6-substituted fluoropyridines is affected due to several factors. The main reason for huge reduction in the strength of this N–H⋯N hydrogen bond in these complexes is due to loss of the C–H⋯N hydrogen bond, through substitution of fluorine atoms in 2 and 6 positions, which induces major structural changes by bending the hydrogen bond and introducing the n → π* interaction. Effect of fluorination as well as presence of the n → π* interaction in these complexes also contributes to the reduction of the strength of the N–H⋯N interaction. Although it is difficult to quantify the role of the n → π* interaction to affect the strength of the hydrogen bond, observation of the structures, where a strong hydrogen bond and a weak n → π* interaction co-exist, is confirmed. | en_US |
dc.language.iso | en | en_US |
dc.publisher | IOP Publishing | en_US |
dc.subject | Experimental observation | en_US |
dc.subject | Gas phase laser spectroscopy | en_US |
dc.subject | Fluorosubstituted pyridines | en_US |
dc.subject | Crystal engineering | en_US |
dc.subject | Electronic spectra | en_US |
dc.subject | 2016 | en_US |
dc.title | Experimental observation of structures with subtle balance between strong hydrogen bond and weak n → π* interaction: Gas phase laser spectroscopy of 7-azaindole⋯fluorosubstituted pyridines | en_US |
dc.type | Article | en_US |
dc.contributor.department | Dept. of Physics | en_US |
dc.identifier.sourcetitle | Journal of Chemical Physics | en_US |
dc.publication.originofpublisher | Foreign | en_US |
Appears in Collections: | JOURNAL ARTICLES |
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