Skip to content

Research at St Andrews

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

Research output: Contribution to journalArticlepeer-review

Standard

Measurements of microwave and NMR spectra for 15N substituted formamidinium formate. / Zhou, Zunwu; Peureux, Coralyse; Aitken, R Alan; Kukolich, Stephen J.

In: Journal of Molecular Spectroscopy, Vol. 378, 111478, 14.05.2021.

Research output: Contribution to journalArticlepeer-review

Harvard

Zhou, Z, Peureux, C, Aitken, RA & Kukolich, SJ 2021, 'Measurements of microwave and NMR spectra for 15N substituted formamidinium formate', Journal of Molecular Spectroscopy, vol. 378, 111478. https://doi.org/10.1016/j.jms.2021.111478

APA

Zhou, Z., Peureux, C., Aitken, R. A., & Kukolich, S. J. (2021). Measurements of microwave and NMR spectra for 15N substituted formamidinium formate. Journal of Molecular Spectroscopy, 378, [111478]. https://doi.org/10.1016/j.jms.2021.111478

Vancouver

Zhou Z, Peureux C, Aitken RA, Kukolich SJ. Measurements of microwave and NMR spectra for 15N substituted formamidinium formate. Journal of Molecular Spectroscopy. 2021 May 14;378. 111478. https://doi.org/10.1016/j.jms.2021.111478

Author

Zhou, Zunwu ; Peureux, Coralyse ; Aitken, R Alan ; Kukolich, Stephen J. / Measurements of microwave and NMR spectra for 15N substituted formamidinium formate. In: Journal of Molecular Spectroscopy. 2021 ; Vol. 378.

Bibtex - Download

@article{753e60a855f74f5691679830e84ddb6c,
title = "Measurements of microwave and NMR spectra for 15N substituted formamidinium formate",
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.",
author = "Zunwu Zhou and Coralyse Peureux and Aitken, {R Alan} and Kukolich, {Stephen J}",
note = "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.",
year = "2021",
month = may,
day = "14",
doi = "10.1016/j.jms.2021.111478",
language = "English",
volume = "378",
journal = "Journal of Molecular Spectroscopy",
issn = "0022-2852",
publisher = "Academic Press Inc.",

}

RIS (suitable for import to EndNote) - Download

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

VL - 378

JO - Journal of Molecular Spectroscopy

JF - Journal of Molecular Spectroscopy

SN - 0022-2852

M1 - 111478

ER -

Related by author

  1. Oxazoles

    Aitken, R. A. & Inwood, R. A., 27 Jul 2021, (Accepted/In press) Chapter 4.04 in Comprehensive Heterocyclic Chemistry IV. Aitken, R. A. (ed.). Elsevier (incl. Pergamon )

    Research output: Chapter in Book/Report/Conference proceedingChapter

  2. Thiophene-3-carbonyl chloride

    Aitken, R. A. & Slawin, A. M. Z., 22 Jul 2021, In: Molbank. 2021, 3, 4 p., M1254.

    Research output: Contribution to journalArticlepeer-review

  3. 1,3-Dioxoles and 1,3-Oxathioles

    Aitken, R. A., 22 Jul 2021, (Accepted/In press) Chapter 4.10 in Comprehensive Heterocyclic Chemistry IV. Aitken, R. A. (ed.). Elsevier (incl. Pergamon )

    Research output: Chapter in Book/Report/Conference proceedingChapter

  4. The vacuum ultraviolet absorption spectra of norbornadiene: vibrational analysis of the singlet and triplet valence states of norbornadiene by configuration interaction and density functional calculations

    Palmer, M. H., Hoffmann, S. V., Jones, N. C., Coreno, M., de Simone, M., Grazioli, C. & Aitken, R. A., 20 Jul 2021, In: The Journal of Chemical Physics. 155, 3, 14 p., 034308.

    Research output: Contribution to journalArticlepeer-review

  5. Five-membered rings with two non-adjacent heteroatoms with at least one phosphorus

    Aitken, R. A. & Sonecha, D. K., 1 Jun 2021, (Accepted/In press) Chapter 4.16 in Comprehensive Heterocyclic Chemistry IV. Aitken, R. A. (ed.). Elsevier (incl. Pergamon )

    Research output: Chapter in Book/Report/Conference proceedingChapter

Related by journal

  1. The rotational spectrum and derived structure of 1,2,3-triazine

    Morina, L., Aitken, R. A., Palmer, M. H. & Christen, D., Jan 2019, In: Journal of Molecular Spectroscopy. 355, 1, p. 87-95 9 p.

    Research output: Contribution to journalArticlepeer-review

  2. High-resolution infrared and theoretical study of the fundamental bands ν6, ν7, ν9 and ν13 of 1,2,3-thiadiazole

    Hegelund, F., Wugt Larsen, R., Aitken, R. A., Melec, P. & Palmer, M. H., Jul 2008, In: Journal of Molecular Spectroscopy. 250, 1, p. 8-19 12 p.

    Research output: Contribution to journalArticlepeer-review

  3. High-resolution infrared and theoretical study of the fundamental bands ν2, ν4, ν9 and the c-Coriolis interacting dyad ν5, ν14 of 1,3,4-thiadiazole

    Hegelund, F., Aitken, R. A., Wugt Larsen, R. & Palmer, M. H., Apr 2008, In: Journal of Molecular Spectroscopy. 248, 2, p. 161-167 7 p.

    Research output: Contribution to journalArticlepeer-review

  4. High-resolution infrared and theoretical study of four fundamental bands of gaseous 1,3,4-oxadiazole between 800 and 1600 cm–1

    Hegelund, F., Wugt Larsen, R., Aitken, R. A., Aitken, K. M. & Palmer, M. H., Dec 2007, In: Journal of Molecular Spectroscopy. 246, 2, p. 198-212 15 p.

    Research output: Contribution to journalArticlepeer-review

ID: 273924588

Top