TY - JOUR
T1 - Anatomising Proton NMR Spectra with Pure Shift 2D J-Spectroscopy
T2 - A Cautionary Tale
AU - Kiraly, Peter
AU - Foroozandeh, Mohammadali
AU - Nilsson, Mathias
AU - Morris, Gareth
PY - 2017
Y1 - 2017
N2 - Analysis of proton NMR spectra has been a key tool in structure determination for over 60 years. A classic tool is 2D J-spectroscopy, but common problems are the difficulty of obtaining the absorption mode lineshapes needed for accurate results, and the need for a 45° shear of the final 2D spectrum. A novel 2D NMR method is reported here that allows straightforward determination of homonuclear couplings, using a modified version of the PSYCHE method to suppress couplings in the direct dimension. The method illustrates the need for care when combining pure shift data acquisition with multiple pulse methods.
AB - Analysis of proton NMR spectra has been a key tool in structure determination for over 60 years. A classic tool is 2D J-spectroscopy, but common problems are the difficulty of obtaining the absorption mode lineshapes needed for accurate results, and the need for a 45° shear of the final 2D spectrum. A novel 2D NMR method is reported here that allows straightforward determination of homonuclear couplings, using a modified version of the PSYCHE method to suppress couplings in the direct dimension. The method illustrates the need for care when combining pure shift data acquisition with multiple pulse methods.
U2 - 10.1016/j.cplett.2017.01.031
DO - 10.1016/j.cplett.2017.01.031
M3 - Article
SN - 0009-2614
JO - Chemical Physics Letters
JF - Chemical Physics Letters
ER -