Transcription of Paramagnetic Effects in NMR - University of Georgia
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Paramagnetic Effects in NMR - University of Georgia
Paramagnetic Effects in NMRBCMB/CHEM 8190 April 20, 2005 Paramagnetic Effects in NMR Outline and Useful References Relaxation by electron spins distance mapping Field induced orientation RDC measurements Pseudo-contact shifts distance and angle data Solution NMR of Paramagnetic Molecules Bertini, Luchinat, Parigi, Elsevier, 2001 Useful review Bertini, I., et al. (2002). Concepts in Magnetic Resonance14: 259-286. Lanthanide chelate tags Ikegami, T., et al. (2004) J. Biomol. NMR29:339-349. Lanthanide peptide tags Wohnert, J., et al. (2003) J. Am. Chem. Centers Have Very High Magnetic Moments and Make Very Large Susceptibility ContributionsFor a single spin: = Bg (S(S+1))1/2= e(h/2 ) (S(S+1))1/2 For spins undergoing rapid transitions: eff= B2g2S(S+1) B0/ (3kT)Susceptibility contributions for averaging spins m= 0 B2g2S(S+1) / (6kT)Magnitudes about 2000 times that of protons Bis the Bohr magneton (eh/(4 me))There are Different Types of Paramagnetic RelaxationSolomon Equations Give Electron-Nucleus Dipolar Relaxation +++++++ +++ = +++++ ++ =222222226222202222222622220116)(1613)(1 4)1(4151)(1613)(1)1(4152 CSCCSICCICCSICCBMCSICCICCSICBMrSSgRrSSgR e-(S)N (I)rForm of Equation Depends on C C-1= e-1+ m-1 When el
Paramagnetic Effects in NMR – Outline and Useful References • Relaxation by electron spins – distance mapping • Field induced orientation – RDC measurements
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