Line-narrowing in electron spin echo envelope modulation spectroscopy: a determination of the 15N hyperfine interaction parameters of para-nitrobenzo-15N-nitrile radical anion in frozen solution

Gary J. Gerfen; Brendan F. Bellew; David J. Singel

doi:10.1016/0009-2614(91)85156-Q

Line-narrowing in electron spin echo envelope modulation spectroscopy: a determination of the ¹⁵N hyperfine interaction parameters of para-nitrobenzo-¹⁵N-nitrile radical anion in frozen solution

Gary J. Gerfen, Brendan F. Bellew, David J. Singel

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2 Scopus citations

Abstract

A strategy for substantially reducing powder-pattern linewidths in ESEEM spectra of spin 1 2 nuclei is demonstrated in the 4 to 12 GHz ESEEM spectra of the radical anion of para-nitrobenzo-¹⁵N-nitrile. Line-broadening associated with axial hyperfine interactions can be eliminated in one branch of the ESEEM powder-pattern by optimal selection of external field strength. This line-narrowing strategy extends the applicability of ESEEM spectroscopy to systems with arbitrarily large dipolar couplings. ¹⁵N hyperfine coupling constants of the studied radical are evaluated from the multifrequency ESEEM spectra. The impact of rhombic hyperfine couplings on the spectra is discussed and explicitly considered in the quantitative analysis of the experimental results.

Original language	English (US)
Pages (from-to)	490-496
Number of pages	7
Journal	Chemical Physics Letters
Volume	180
Issue number	5
DOIs	https://doi.org/10.1016/0009-2614(91)85156-Q
State	Published - May 31 1991
Externally published	Yes

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Physics and Astronomy(all)
Physical and Theoretical Chemistry

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10.1016/0009-2614(91)85156-Q

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Line-narrowing in electron spin echo envelope modulation spectroscopy: a determination of the ¹⁵N hyperfine interaction parameters of para-nitrobenzo-¹⁵N-nitrile radical anion in frozen solution. / Gerfen, Gary J.; Bellew, Brendan F.; Singel, David J.
In: Chemical Physics Letters, Vol. 180, No. 5, 31.05.1991, p. 490-496.

Research output: Contribution to journal › Article › peer-review

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title = "Line-narrowing in electron spin echo envelope modulation spectroscopy: a determination of the 15N hyperfine interaction parameters of para-nitrobenzo-15N-nitrile radical anion in frozen solution",

abstract = "A strategy for substantially reducing powder-pattern linewidths in ESEEM spectra of spin 1 2 nuclei is demonstrated in the 4 to 12 GHz ESEEM spectra of the radical anion of para-nitrobenzo-15N-nitrile. Line-broadening associated with axial hyperfine interactions can be eliminated in one branch of the ESEEM powder-pattern by optimal selection of external field strength. This line-narrowing strategy extends the applicability of ESEEM spectroscopy to systems with arbitrarily large dipolar couplings. 15N hyperfine coupling constants of the studied radical are evaluated from the multifrequency ESEEM spectra. The impact of rhombic hyperfine couplings on the spectra is discussed and explicitly considered in the quantitative analysis of the experimental results.",

author = "Gerfen, {Gary J.} and Bellew, {Brendan F.} and Singel, {David J.}",

note = "Funding Information: We would like to thank H.-J. Kriiger for assistance in the electrochemical reduction of the sample. This work has been carried out with support from the NSF",

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AU - Gerfen, Gary J.

AU - Bellew, Brendan F.

AU - Singel, David J.

N1 - Funding Information: We would like to thank H.-J. Kriiger for assistance in the electrochemical reduction of the sample. This work has been carried out with support from the NSF

PY - 1991/5/31

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N2 - A strategy for substantially reducing powder-pattern linewidths in ESEEM spectra of spin 1 2 nuclei is demonstrated in the 4 to 12 GHz ESEEM spectra of the radical anion of para-nitrobenzo-15N-nitrile. Line-broadening associated with axial hyperfine interactions can be eliminated in one branch of the ESEEM powder-pattern by optimal selection of external field strength. This line-narrowing strategy extends the applicability of ESEEM spectroscopy to systems with arbitrarily large dipolar couplings. 15N hyperfine coupling constants of the studied radical are evaluated from the multifrequency ESEEM spectra. The impact of rhombic hyperfine couplings on the spectra is discussed and explicitly considered in the quantitative analysis of the experimental results.

AB - A strategy for substantially reducing powder-pattern linewidths in ESEEM spectra of spin 1 2 nuclei is demonstrated in the 4 to 12 GHz ESEEM spectra of the radical anion of para-nitrobenzo-15N-nitrile. Line-broadening associated with axial hyperfine interactions can be eliminated in one branch of the ESEEM powder-pattern by optimal selection of external field strength. This line-narrowing strategy extends the applicability of ESEEM spectroscopy to systems with arbitrarily large dipolar couplings. 15N hyperfine coupling constants of the studied radical are evaluated from the multifrequency ESEEM spectra. The impact of rhombic hyperfine couplings on the spectra is discussed and explicitly considered in the quantitative analysis of the experimental results.

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Line-narrowing in electron spin echo envelope modulation spectroscopy: a determination of the ¹⁵N hyperfine interaction parameters of para-nitrobenzo-¹⁵N-nitrile radical anion in frozen solution

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