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Structure and NMR spectra of bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic acid and its anhydride

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dc.contributor.authorAitken, R Alan
dc.contributor.authorFotherby, Fiona M.
dc.contributor.authorSlawin, Alexandra M. Z.
dc.date.accessioned2022-09-28T23:36:11Z
dc.date.available2022-09-28T23:36:11Z
dc.date.issued2022-02-05
dc.identifier276081103
dc.identifier67a9c318-f7dd-414a-a6a0-01d000d959eb
dc.identifier85116371409
dc.identifier000710136900002
dc.identifier.citationAitken , R A , Fotherby , F M & Slawin , A M Z 2022 , ' Structure and NMR spectra of bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic acid and its anhydride ' , Journal of Molecular Structure , vol. 1249 , 131610 . https://doi.org/10.1016/j.molstruc.2021.131610en
dc.identifier.issn0022-2860
dc.identifier.otherORCID: /0000-0002-9527-6418/work/100901068
dc.identifier.otherORCID: /0000-0001-6959-5311/work/100901188
dc.identifier.urihttps://hdl.handle.net/10023/26096
dc.description.abstractTwo of the three published sets of 1H and 13C NMR data for bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic anhydride have been found to actually be those of the corresponding diacid. The NMR spectroscopic distinction between these two compounds is clarified and 1JC–H values are reported for the anhydride, the diacid and a related diester. The X-ray structure of the diacid has been determined and features chains of molecules involving both intra- and inter-molecular hydrogen bonding.
dc.format.extent6
dc.format.extent1300304
dc.language.isoeng
dc.relation.ispartofJournal of Molecular Structureen
dc.subject1H NMRen
dc.subject13C NMRen
dc.subjectOne-bond spin-spin coupling constanten
dc.subjectX-ray structureen
dc.subjectHydrogen bondingen
dc.subjectQD Chemistryen
dc.subjectDASen
dc.subjectMCCen
dc.subject.lccQDen
dc.titleStructure and NMR spectra of bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic acid and its anhydrideen
dc.typeJournal articleen
dc.contributor.institutionUniversity of St Andrews. EaSTCHEMen
dc.contributor.institutionUniversity of St Andrews. School of Chemistryen
dc.identifier.doi10.1016/j.molstruc.2021.131610
dc.description.statusPeer revieweden
dc.date.embargoedUntil2022-09-29
dc.identifier.urlhttps://www.sciencedirect.com/science/article/pii/S0022286021017385?via=ihub#sec0013en


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