Research output: Contribution to journal › Article › peer-review
cis Versus trans-Azobenzene : Precise Determination of NMR Parameters and Analysis of Long-Lived States of 15N Spin Pairs. / Sheberstov, Kirill F.; Vieth, Hans Martin; Zimmermann, Herbert et al.
In: Applied Magnetic Resonance, Vol. 49, No. 3, 01.03.2018, p. 293-307.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - cis Versus trans-Azobenzene
T2 - Precise Determination of NMR Parameters and Analysis of Long-Lived States of 15N Spin Pairs
AU - Sheberstov, Kirill F.
AU - Vieth, Hans Martin
AU - Zimmermann, Herbert
AU - Ivanov, Konstantin L.
AU - Kiryutin, Alexey S.
AU - Yurkovskaya, Alexandra V.
PY - 2018/3/1
Y1 - 2018/3/1
N2 - 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.
AB - 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.
KW - FIELD
KW - PHOTOISOMERIZATION
KW - RELAXATION
KW - SINGLET ORDER
KW - SPECTRA
KW - TOTAL LINESHAPE ANALYSIS
UR - http://www.scopus.com/inward/record.url?scp=85038636381&partnerID=8YFLogxK
U2 - 10.1007/s00723-017-0968-8
DO - 10.1007/s00723-017-0968-8
M3 - Article
C2 - 29479146
AN - SCOPUS:85038636381
VL - 49
SP - 293
EP - 307
JO - Applied Magnetic Resonance
JF - Applied Magnetic Resonance
SN - 0937-9347
IS - 3
ER -
ID: 9400145