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

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  • Embargoed (until 28/04/22)

Author(s)

Zunwu Zhou, Coralyse Peureux, R Alan Aitken, Stephen J Kukolich

School/Research organisations

Abstract

A 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.
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Details

Original languageEnglish
Article number111478
Number of pages5
JournalJournal of Molecular Spectroscopy
Volume378
Early online date28 Apr 2021
DOIs
Publication statusPublished - 14 May 2021

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