Hyperfine interactions of narrow-line trityl radical with solvent molecules

Hyperfine interactions of narrow-line trityl radical with solvent molecules Full article

Journal

Journal of Magnetic Resonance
ISSN: 1090-7807

Output data

Year: 2013, Volume: 233, Pages: 29-36 Pages count : DOI: 10.1016/j.jmr.2013.04.017

Tags

DNP; Trityl radical; ENDOR

Authors

Trukhan S. N. ^1,2 , Yudanov V. F. ¹ , Tormyshev V. M. ^2,3 , Rogozhnikova O. Yu. ³ , Trukhin D. V. ³ , Bowman M. K. ⁴ , Krzyaniak M. D. ⁴ , Chen H. ⁴ , Martyanov O. N. ¹

Affiliations

1	(Данные Web of science) Boreskov Inst Catalysis, Novosibirsk 630090, Russia
2	(Данные Web of science) Novosibirsk State Univ, Dept Nat Sci, Novosibirsk 630090, Russia
3	(Данные Web of science) Vorozhtsov Novosibirsk Inst Organ Chem, Novosibirsk 630090, Russia
4	(Данные Web of science) Univ Alabama, Dept Chem, Tuscaloosa, AL 35487 USA

The electron nuclear dipolar interactions responsible for some dynamic nuclear polarization (DNP) mechanisms also are responsible for the presence formally in CW EPR spectra of forbidden satellite lines in which both the electron spin and a nuclear spin flip. Such lines arising from H-1 nuclei are easily resolved in CW EPR measurements of trityl radicals, a popular family of DNP reagents. The satellite lines overlap some of the hyperfine features from C-13 in natural abundance in the trityl radical, but their intensity can be easily determined by simple simulations of the EPR spectra using the hyperfine parameters of the trityl radical. Isotopic substitution of H-2 for H-1 among the hydrogens of the trityl radical and/or the solvent allows the dipolar interactions from the H-1 on the trityl radical and from the solvent to be determined. The intensity of the dipolar interactions, integrated over all the H-1 in the system, is characterized by the traditional parameter called r(eff). For the so-called Finland trityl in methanol, the r(eff) values indicate that collectively the H-1 in the unlabeled solvent have a stronger integrated dipolar interaction with the unpaired electron spin of the Finland trityl than do the H-1 in the radical and consequently will be a more important DNP route. Although r(eff) has the dimensions of distance, it does not correspond to any simple physical dimension in the trityl radical because the details of the unpaired electron spin distribution and the hydrogen distribution are important in the case of trityls. (C) 2013 Elsevier Inc. All rights reserved.

Trukhan S.N. , Yudanov V.F. , Tormyshev V.M. , Rogozhnikova O.Y. , Trukhin D.V. , Bowman M.K. , Krzyaniak M.D. , Chen H. , Martyanov O.N.
Hyperfine interactions of narrow-line trityl radical with solvent molecules

Journal of Magnetic Resonance. 2013. V.233. P.29-36. DOI: 10.1016/j.jmr.2013.04.017 WOS Scopus РИНЦ

Full text from publisher

Published print:

Aug 1, 2013

Web of science	WOS:000322209600004
Scopus	2-s2.0-84878258259
Elibrary	21467850
OpenAlex	W2015909174