True chemical shift correlation maps: a TOCSY experiment with pure shifts in both dimensions

Gareth A. Morris, Juan A. Aguilar, Robert Evans, Stephan Haiber, Mathias Nilsson

Research output: Contribution to journalArticle

Abstract

Signal resolution in H NMR is limited primarily by multiplet structure. Recent advances in pure shift NMR, in which the effects of homonuclear couplings are suppressed, have allowed this limitation to be circumvented in 1D NMR, gaining almost an order of magnitude in spectral resolution. Here for the first time an experiment is demonstrated that suppresses multiplet structure in both domains of a homonuclear two-dimensional spectrum. The principle is demonstrated for the TOCSY experiment, generating a chemical shift correlation map in which a single peak is seen for each coupled relationship, but the principle is general and readily extensible to other homonuclear correlation experiments. Such spectra greatly simplify manual spectral analysis and should be well-suited to automated methods for structure elucidation.
LanguageEnglish
Pages12770-12772
Number of pages3
JournalJournal of American Chemical Society
Volume132
Issue number37
DOIs
Publication statusPublished - 26 Aug 2010

Fingerprint

Chemical shift
Nuclear magnetic resonance
Experiments
Spectral resolution
Spectrum analysis

Cite this

Morris, Gareth A. ; Aguilar, Juan A. ; Evans, Robert ; Haiber, Stephan ; Nilsson, Mathias. / True chemical shift correlation maps : a TOCSY experiment with pure shifts in both dimensions. In: Journal of American Chemical Society. 2010 ; Vol. 132, No. 37. pp. 12770-12772.
@article{8e8f8eae5ee843e69791f4727916f1eb,
title = "True chemical shift correlation maps: a TOCSY experiment with pure shifts in both dimensions",
abstract = "Signal resolution in H NMR is limited primarily by multiplet structure. Recent advances in pure shift NMR, in which the effects of homonuclear couplings are suppressed, have allowed this limitation to be circumvented in 1D NMR, gaining almost an order of magnitude in spectral resolution. Here for the first time an experiment is demonstrated that suppresses multiplet structure in both domains of a homonuclear two-dimensional spectrum. The principle is demonstrated for the TOCSY experiment, generating a chemical shift correlation map in which a single peak is seen for each coupled relationship, but the principle is general and readily extensible to other homonuclear correlation experiments. Such spectra greatly simplify manual spectral analysis and should be well-suited to automated methods for structure elucidation.",
author = "Morris, {Gareth A.} and Aguilar, {Juan A.} and Robert Evans and Stephan Haiber and Mathias Nilsson",
year = "2010",
month = "8",
day = "26",
doi = "10.1021/ja1039715",
language = "English",
volume = "132",
pages = "12770--12772",
journal = "Journal of American Chemical Society",
issn = "0002-7863",
publisher = "American Chemical Society",
number = "37",

}

True chemical shift correlation maps : a TOCSY experiment with pure shifts in both dimensions. / Morris, Gareth A.; Aguilar, Juan A.; Evans, Robert; Haiber, Stephan; Nilsson, Mathias.

In: Journal of American Chemical Society, Vol. 132, No. 37, 26.08.2010, p. 12770-12772.

Research output: Contribution to journalArticle

TY - JOUR

T1 - True chemical shift correlation maps

T2 - Journal of American Chemical Society

AU - Morris, Gareth A.

AU - Aguilar, Juan A.

AU - Evans, Robert

AU - Haiber, Stephan

AU - Nilsson, Mathias

PY - 2010/8/26

Y1 - 2010/8/26

N2 - Signal resolution in H NMR is limited primarily by multiplet structure. Recent advances in pure shift NMR, in which the effects of homonuclear couplings are suppressed, have allowed this limitation to be circumvented in 1D NMR, gaining almost an order of magnitude in spectral resolution. Here for the first time an experiment is demonstrated that suppresses multiplet structure in both domains of a homonuclear two-dimensional spectrum. The principle is demonstrated for the TOCSY experiment, generating a chemical shift correlation map in which a single peak is seen for each coupled relationship, but the principle is general and readily extensible to other homonuclear correlation experiments. Such spectra greatly simplify manual spectral analysis and should be well-suited to automated methods for structure elucidation.

AB - Signal resolution in H NMR is limited primarily by multiplet structure. Recent advances in pure shift NMR, in which the effects of homonuclear couplings are suppressed, have allowed this limitation to be circumvented in 1D NMR, gaining almost an order of magnitude in spectral resolution. Here for the first time an experiment is demonstrated that suppresses multiplet structure in both domains of a homonuclear two-dimensional spectrum. The principle is demonstrated for the TOCSY experiment, generating a chemical shift correlation map in which a single peak is seen for each coupled relationship, but the principle is general and readily extensible to other homonuclear correlation experiments. Such spectra greatly simplify manual spectral analysis and should be well-suited to automated methods for structure elucidation.

UR - http://www.scopus.com/inward/record.url?scp=77956633207&partnerID=8YFLogxK

U2 - 10.1021/ja1039715

DO - 10.1021/ja1039715

M3 - Article

VL - 132

SP - 12770

EP - 12772

JO - Journal of American Chemical Society

JF - Journal of American Chemical Society

SN - 0002-7863

IS - 37

ER -