Two Dimensional NMR

R. V. Hosur

Department of Chemical SciencesTata Institute of Fundamental Research

Homi Bhabha Road, Mumbai

Two Dimensional NMR

S(t1,t2) 2d FT

S(F1, F2)

Two Dimensional NMR

ββA1 A2 X1 X2

αα

αβ βαA1

A2X1

X2

βX αX βAαA

Coherence transfer

Inverting X spin causes A1 to A2 interchange

Inverting A spin causes X1 to X2 interchange

t1/2 t1/2 t2

2D J-resolved Spectroscopy

J J + δ

Spin-Echo

90 180

Evolution Detection

Chemical Shifts are refocused

J - δ separation

2D Separation

2D Correlation Spectroscopy

NOESYInvestigation of exchange processes by two-dimensional NMR spectroscopyJ. Jeener, B. H. Meier, P. Bachmann, R. R. ErnstJ. Chem. Phys. 71, 4546-4553 (1979)

COSYTwo Dimensional Spectroscopy: Application to nuclear magnetic resonanceW. P. Aue, E. Bartholdi, R. R. ErnstJ. Chem. Phys. 64, 2229- 2246 (1976)

….. COSY

Total Correlation Spectroscopy (TOCSY)

NOESY

ωτc >> 1 ωτc << 1

NOESY

500MHz 2D NOESY spectrum

1 mM Lysozyme

500MHz 2D NOESY spectrum

Heteronuclear Single Quantum Coherence (HSQC)

FKBP

Receiver phase alternation cancels unwanted H magnetization not coupled to 13C

HMQC - TOCSY spectrum