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

Zunwu Zhou, Coralyse Peureux, R. Alan Aitken, Stephen G. Kukolich

Research output: Contribution to journalArticlepeer-review

Abstract

A sample of doubly-substituted 15N formamidinium formate was synthesized and the microwave spectrum was measured in the 5.6–14.2 GHz 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 the15N 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 DK = −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.

Original languageEnglish (US)
Article number111478
JournalJournal of Molecular Spectroscopy
Volume378
DOIs
StatePublished - Apr 2021

Keywords

  • Hydrogen bonded dimer
  • Microwave spectrum
  • Molecular structure
  • NMR spectrum

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Spectroscopy
  • Physical and Theoretical Chemistry

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