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  cis versus trans-Azobenzene: precise determination of NMR parameters and analysis of long-lived states of 15N spin pairs

Sheberstov, K. F., Vieth, H.-M., Zimmermann, H., Ivanov, K. L., Kiryutin, A. S., & Yurkovskaya, A. V. (2018). cis versus trans-Azobenzene: precise determination of NMR parameters and analysis of long-lived states of 15N spin pairs. Applied Magnetic Resonance, 49(3), 293-307. doi:10.1007/s00723-017-0968-8.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-002E-9B2C-1 Version Permalink: http://hdl.handle.net/21.11116/0000-0002-7B4E-E
Genre: Journal Article

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ApplMagReson_49_2018_293.pdf (Any fulltext), 717KB
 
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Sheberstov, Kirill F., Author
Vieth, Hans-Martin, Author
Zimmermann, Herbert1, Author              
Ivanov, Konstantin L., Author
Kiryutin, Alexey S., Author
Yurkovskaya, Alexandra V., Author
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1Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society, ou_1497700              

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 Abstract: We provide a detailed evaluation of nuclear magnetic resonance (NMR) parameters of the cis- and trans-isomers of azobenzene (AB). For determining the NMR parameters, such as proton-proton and proton-nitrogen J-couplings and chemical shifts, we compared NMR spectra of three different isotopomers of AB: the doubly 15N labeled azobenzene, 15N,15N'-AB, and two partially deuterated AB isotopomers with a single 15N atom. For the total lineshape analysis of NMR spectra, we used the recently developed ANATOLIA software package. The determined NMR parameters allowed us to optimize experiments for investigating singlet long-lived spin states (LLSs) of 15N spin pairs and to measure LLS lifetimes in cis-AB and trans-AB. Magnetization-to-singlet-to-magnetization conversion has been performed using the SLIC and APSOC techniques, providing a degree of conversion up to 17 and 24% of the initial magnetization, respectively. Our approach is useful for optimizing the performance of experiments with singlet LLSs; such LLSs can be exploited for preserving spin hyperpolarization, for probing slow molecular dynamics, slow chemical processes and also slow transport processes.

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Language(s): eng - English
 Dates: 2017-11-162017-10-052017-12-222018-03-01
 Publication Status: Published in print
 Pages: 15
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 Table of Contents: -
 Rev. Method: Peer
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Title: Applied Magnetic Resonance
Source Genre: Journal
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Publ. Info: Springer-Verlag
Pages: - Volume / Issue: 49 (3) Sequence Number: - Start / End Page: 293 - 307 Identifier: ISSN: 0937-9347
CoNE: /journals/resource/0937-9347