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Measurements of microwave and NMR spectra for 15N substituted formamidinium formate

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dc.contributor.authorZhou, Zunwu
dc.contributor.authorPeureux, Coralyse
dc.contributor.authorAitken, R Alan
dc.contributor.authorKukolich, Stephen J
dc.date.accessioned2022-04-27T23:42:16Z
dc.date.available2022-04-27T23:42:16Z
dc.date.issued2021-05-14
dc.identifier273924588
dc.identifier753e60a8-55f7-4f56-9167-9830e84ddb6c
dc.identifier85105794744
dc.identifier000660002400016
dc.identifier.citationZhou , Z , Peureux , C , Aitken , R A & Kukolich , S J 2021 , ' Measurements of microwave and NMR spectra for 15 N substituted formamidinium formate ' , Journal of Molecular Spectroscopy , vol. 378 , 111478 . https://doi.org/10.1016/j.jms.2021.111478en
dc.identifier.issn0022-2852
dc.identifier.otherORCID: /0000-0001-6959-5311/work/93514565
dc.identifier.urihttps://hdl.handle.net/10023/25256
dc.descriptionThis material is based upon work supported by the National Science Foundation under Grant Nos. CHE-1057796 and CHE-1952289 at the University of Arizona.en
dc.description.abstractA sample of doubly-substituted 15N formamidinium formate was synthesized and the microwave spectrum was measured in the 5.6-14.2GHz frequency range using a Flygare-Balle type pulsed beam Fourier transform microwave (MW) spectrometer. A total of 13 a-type rotational transitions were measured and fitted to obtain the rotational constants and centrifugal distortion constants for the 15N substituted isotopologue. The rotational constants and centrifugal distortion constants determined have the following values: A=5808.02(18)MHz, B=2127.008(2)MHz, C=1557.615(2)MHz, DJ=0.60(11)kHz, DJK=4.95(71)kHz and δJ = -0.138(24)kHz. Tunneling splittings were searched for, but not observed. NMR spectra for this compound are reported including values of δC, δN, 1JCH, 1JCN and 2JNH in CD3SOCD3, CD3OD and D2O. The occurrence of NH to ND exchange in D2O allowed the fortuitous measurement of 1JND.
dc.format.extent5
dc.format.extent703222
dc.language.isoeng
dc.relation.ispartofJournal of Molecular Spectroscopyen
dc.subjectQD Chemistryen
dc.subjectT-NDASen
dc.subject.lccQDen
dc.titleMeasurements of microwave and NMR spectra for 15N substituted formamidinium formateen
dc.typeJournal articleen
dc.contributor.institutionUniversity of St Andrews. School of Chemistryen
dc.contributor.institutionUniversity of St Andrews. EaSTCHEMen
dc.identifier.doi10.1016/j.jms.2021.111478
dc.description.statusPeer revieweden
dc.date.embargoedUntil2022-04-28


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