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Title: Two-dimensional hyperfine sublevel correlation spectroscopy: Powder features for S = 1/2, I = 1

Abstract

The lineshapes of two-dimensional magnetic resonance spectra of disordered or partially-ordered solids are defined by ridges of singularities in the frequency plane. The positions of these ridges are described by a branch of catastrophe theory concerning the mapping of one 2-D surface onto another. The specific case of HYSCORE spectra for paramagnetic centers having electron spin S = ? and nuclear spin I = 1 is discussed in terms of catastrophe theory using an exact solution of the nuclear spin Hamiltonian. The line shape characteristics are considered for several general cases

Authors:
;
Publication Date:
Research Org.:
Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)
Sponsoring Org.:
USDOE
OSTI Identifier:
891114
Report Number(s):
PNWD-SA-7031
13297; TRN: US200621%%9
DOE Contract Number:
AC05-76RL01830
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Magnetic Resonance, 179(1):120-135
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; POWDERS; ELECTRON SPIN RESONANCE; NUCLEAR MAGNETIC RESONANCE; SPECTROSCOPY; CALCULATION METHODS; ESE EM; HYSCORE; 2D spectroscopy; Catastrophe theory; Nitrogen nucleus; Hyperfine interaction; Singularity patterns; Mapping; Quadrupolar interaction; Fold; Cusp.; Environmental Molecular Sciences Laboratory

Citation Formats

Maryasov, Alexander G., and Bowman, Michael K.. Two-dimensional hyperfine sublevel correlation spectroscopy: Powder features for S = 1/2, I = 1. United States: N. p., 2006. Web. doi:10.1016/j.jmr.2005.11.013.
Maryasov, Alexander G., & Bowman, Michael K.. Two-dimensional hyperfine sublevel correlation spectroscopy: Powder features for S = 1/2, I = 1. United States. doi:10.1016/j.jmr.2005.11.013.
Maryasov, Alexander G., and Bowman, Michael K.. Wed . "Two-dimensional hyperfine sublevel correlation spectroscopy: Powder features for S = 1/2, I = 1". United States. doi:10.1016/j.jmr.2005.11.013.
@article{osti_891114,
title = {Two-dimensional hyperfine sublevel correlation spectroscopy: Powder features for S = 1/2, I = 1},
author = {Maryasov, Alexander G. and Bowman, Michael K.},
abstractNote = {The lineshapes of two-dimensional magnetic resonance spectra of disordered or partially-ordered solids are defined by ridges of singularities in the frequency plane. The positions of these ridges are described by a branch of catastrophe theory concerning the mapping of one 2-D surface onto another. The specific case of HYSCORE spectra for paramagnetic centers having electron spin S = ? and nuclear spin I = 1 is discussed in terms of catastrophe theory using an exact solution of the nuclear spin Hamiltonian. The line shape characteristics are considered for several general cases},
doi = {10.1016/j.jmr.2005.11.013},
journal = {Journal of Magnetic Resonance, 179(1):120-135},
number = ,
volume = ,
place = {United States},
year = {Wed Mar 01 00:00:00 EST 2006},
month = {Wed Mar 01 00:00:00 EST 2006}
}