Journal
JOURNAL OF MAGNETIC RESONANCE
Volume 172, Issue 2, Pages 254-267Publisher
ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jmr.2004.10.010
Keywords
trityl radical; ENDOR; pulsed EPR
Funding
- NIBIB NIH HHS [EB002034] Funding Source: Medline
- NIGMS NIH HHS [GM61904] Funding Source: Medline
Ask authors/readers for more resources
Hyperfine coupling tensors to H-1, H-2, and natural abundance C-13 were measured using X-band pulsed electron nuclear double resonance (ENDOR) spectroscopy for two triarylmethyl (trityl) radicals used in electron paramagnetic resonance imaging and oximetry: methyl tris(8-carboxy-2,2,6,6-tetramethyl-benzo[1,2d:4,5-d']bis(1,3)dithiol-4-yl) and methyl tris(8-carboxy-2,2,6,6-tetramethyl(-d(3))-benzo[1,2d:4,5-d']bis(1,3)dithiol-4-yl). Quantum chemical calculations using density functional theory predict a structure that reproduces the experimentally determined hyperfine tensors. The radicals are propeller-shaped with the three aryl rings nearly mutually orthogonal. The central carbon atom carrying most of the Unpaired electron spin density is surrounded by the sulfur atoms in the radical and is completely shielded from solvent. This structure explains features of the electron spin relaxation of these radicals and suggests ways in which the radicals can be chemically modified to improve their characteristics for imaging and oximetry. (C) 2004 Elsevier Inc. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available