Accurate measurement of small heteronuclear coupling constants from pure-phase alpha/beta HSQMBC cross-peaks

作者：Gil Sergi; Felix Espinosa Juan; Parella Teodor^*

来源：Journal of Magnetic Resonance, 2011, 213(1): 145-150.

DOI：10.1016/j.jmr.2011.09.036

• NMR
• HSQMBC
• Long-range proton-carbon coupling constants
• IPAP
• Spin-state selective

A simple proton-selective alpha/beta-HSQMBC experiment is proposed for the accurate measurement of long-range proton-carbon coupling constants ((n)J(CH)) in small molecules without need for an individualized and time-consuming post-processing fitting procedure. The method acquires two pure-phase In-phase (IP) and Anti-phase (AP) multiplets completely free of any phase distortion due to the absence of J(HH) evolution. Accurate (n)J(CH) values can be directly measured analyzing the relative displacement of the resulting IPAP cross-peaks. Discussion about signal intensity dependence and cross-talk is made for a range of experimental conditions. The robustness of the method is evaluated by comparing the (n)J(CH) value measured from the analysis of the three available IP, AP and IPAP multiplet patterns. Multiple-frequency and region-selective versions of the method can also be efficiently recorded provided that excited protons are not mutually coupled.

• 出版日期2011-12