P.E.HSQMBC: simultaneous measurement of proton-proton and proton-carbon coupling constants.
A long-range optimized P.E.HSQC experiment, named P.E.HSQMBC, is proposed for the simultaneous measurement of a complete set of homonuclear and heteronuclear coupling constants from a single 2D cross-peak. The sign and the magnitude of proton-proton coupling constants are measured along the direct dimension from the relative E.COSY-type multiplet pattern displacement due to the passive one-bond coupling constant splitting generated in the indirect dimension. On the other hand, long-range proton-carbon coupling constants are independently determined in the detected dimension from a traditional fitting analysis of antiphase multiplet patterns or, more conveniently, from the IPAP multiplet displacement obtained from extended HSQMBC experiments.
Servei de Ressonància Magnètica Nuclear, Universitat Autònoma de Barcelona, E-08193 Bellaterra, Barcelona, Spain.
Josep
J
Saurí
Pau
P
Nolis
Laura
L
Castañar
Albert
A
Virgili
Teodor
T
Parella
D002244:Carbon / Q000737:chemistry*; D003198:Computer Simulation; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D008956:Models, Chemical; D011522:Protons
D011522:Protons; D002244:Carbon