# 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}

}

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