High Resolution for Chemical Shifts and Scalar Coupling Constants: The 2D Real-Time J-Upscaled PSYCHE-DIAG

Sebastian Tassoti; Predrag Novak; Craig P. Butts; Klaus Zangger

doi:10.1002/cphc.201800746

High Resolution for Chemical Shifts and Scalar Coupling Constants: The 2D Real-Time J-Upscaled PSYCHE-DIAG

Sebastian Tassoti, Predrag Novak, Craig P. Butts, Klaus Zangger^*

^*Corresponding author for this work

School of Chemistry

Research output: Contribution to journal › Article (Academic Journal) › peer-review

4 Citations (Scopus)

Abstract

The facile determination of chemical shift and scalar coupling constants in NMR spectra is often prevented by spectral overlap and limited resolution. Here, we present a high-resolution NMR experiment for the simultaneous detection of both resonance frequencies and coupling patterns even with small J-values. A PSYCHE-decoupled DIAG (Pure Shift Yielded by Chirp Excitation- DIAGonal) experiment, which resolves chemical shift in the indirect dimension of a 2D experiment is combined with real-time J-upscaling in order to visualize small coupling constants that would otherwise be hidden in the linewidth of a regular proton or DIAG spectrum.

Original language	English
Pages (from-to)	3166-3170
Number of pages	5
Journal	ChemPhysChem
Volume	19
Issue number	22
Early online date	19 Oct 2018
DOIs	https://doi.org/10.1002/cphc.201800746
Publication status	Published - 19 Nov 2018

Keywords

homonuclear decoupling
NMR spectroscopy
pure shift
scalar coupling
structure determination

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title = "High Resolution for Chemical Shifts and Scalar Coupling Constants: The 2D Real-Time J-Upscaled PSYCHE-DIAG",

abstract = "The facile determination of chemical shift and scalar coupling constants in NMR spectra is often prevented by spectral overlap and limited resolution. Here, we present a high-resolution NMR experiment for the simultaneous detection of both resonance frequencies and coupling patterns even with small J-values. A PSYCHE-decoupled DIAG (Pure Shift Yielded by Chirp Excitation- DIAGonal) experiment, which resolves chemical shift in the indirect dimension of a 2D experiment is combined with real-time J-upscaling in order to visualize small coupling constants that would otherwise be hidden in the linewidth of a regular proton or DIAG spectrum.",

keywords = "homonuclear decoupling, NMR spectroscopy, pure shift, scalar coupling, structure determination",

author = "Sebastian Tassoti and Predrag Novak and Butts, {Craig P.} and Klaus Zangger",

year = "2018",

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day = "19",

doi = "10.1002/cphc.201800746",

language = "English",

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journal = "ChemPhysChem",

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TY - JOUR

T1 - High Resolution for Chemical Shifts and Scalar Coupling Constants

T2 - The 2D Real-Time J-Upscaled PSYCHE-DIAG

AU - Tassoti, Sebastian

AU - Novak, Predrag

AU - Butts, Craig P.

AU - Zangger, Klaus

PY - 2018/11/19

Y1 - 2018/11/19

N2 - The facile determination of chemical shift and scalar coupling constants in NMR spectra is often prevented by spectral overlap and limited resolution. Here, we present a high-resolution NMR experiment for the simultaneous detection of both resonance frequencies and coupling patterns even with small J-values. A PSYCHE-decoupled DIAG (Pure Shift Yielded by Chirp Excitation- DIAGonal) experiment, which resolves chemical shift in the indirect dimension of a 2D experiment is combined with real-time J-upscaling in order to visualize small coupling constants that would otherwise be hidden in the linewidth of a regular proton or DIAG spectrum.

AB - The facile determination of chemical shift and scalar coupling constants in NMR spectra is often prevented by spectral overlap and limited resolution. Here, we present a high-resolution NMR experiment for the simultaneous detection of both resonance frequencies and coupling patterns even with small J-values. A PSYCHE-decoupled DIAG (Pure Shift Yielded by Chirp Excitation- DIAGonal) experiment, which resolves chemical shift in the indirect dimension of a 2D experiment is combined with real-time J-upscaling in order to visualize small coupling constants that would otherwise be hidden in the linewidth of a regular proton or DIAG spectrum.

KW - homonuclear decoupling

KW - NMR spectroscopy

KW - pure shift

KW - scalar coupling

KW - structure determination

UR - http://www.scopus.com/inward/record.url?scp=85055267254&partnerID=8YFLogxK

U2 - 10.1002/cphc.201800746

DO - 10.1002/cphc.201800746

M3 - Article (Academic Journal)

C2 - 30239094

AN - SCOPUS:85055267254

SN - 1439-4235

VL - 19

SP - 3166

EP - 3170

JO - ChemPhysChem

JF - ChemPhysChem

IS - 22

ER -

High Resolution for Chemical Shifts and Scalar Coupling Constants: The 2D Real-Time J-Upscaled PSYCHE-DIAG

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