TY - JOUR
T1 - Measurements of microwave and NMR spectra for 15N substituted formamidinium formate
AU - Zhou, Zunwu
AU - Peureux, Coralyse
AU - Aitken, R Alan
AU - Kukolich, Stephen J
N1 - This material is based upon work supported by the National Science Foundation under Grant Nos. CHE-1057796 and CHE-1952289 at the University of Arizona.
PY - 2021/5/14
Y1 - 2021/5/14
N2 - 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.
AB - 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.
U2 - 10.1016/j.jms.2021.111478
DO - 10.1016/j.jms.2021.111478
M3 - Article
SN - 0022-2852
VL - 378
JO - Journal of Molecular Spectroscopy
JF - Journal of Molecular Spectroscopy
M1 - 111478
ER -