Unexpected change in NOE with increasing temperature: Crosstalk between chemical exchange and cross relaxation in a NiN2S2 complex

Ryan J. Dougherty, Melissa L. Golden, Viswanathan V Krishnan

Research output: Contribution to journalArticle

Abstract

Typically, with increasing sample temperature the rotational correlation time of the molecule decreases, leading to a decrease in the relative nuclear Overhauser effect (NOE) enhancement. In characterizing the (O-ethyl-L-cysteinato)-Ni(II) in the solution state, the measured NOE enhancement increases with increasing sample temperature. This unexpected change is explained via crosstalk between nuclear spin cross relaxation and an additional chemical exchange phenomenon between the amino protons of the molecule. The case study using a relaxation matrix approach, with both cross relaxation and chemical exchange, could be essential to understanding a metal complex with a bidentate amino acid derived ligands.

Original languageEnglish (US)
Pages (from-to)160-165
Number of pages6
JournalChemical Physics Letters
Volume715
DOIs
StatePublished - Jan 1 2019

Fingerprint

Overhauser effect
cross relaxation
Crosstalk
crosstalk
Molecules
augmentation
Coordination Complexes
nuclear spin
amino acids
Protons
molecules
Ligands
Amino Acids
Temperature
ligands
temperature
protons
matrices
metals

Keywords

  • Chemical exchange
  • Metal-ligand complexes
  • NMR
  • Nuclear Overhauser Effect (NOE)
  • Tetradentate complexes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Unexpected change in NOE with increasing temperature : Crosstalk between chemical exchange and cross relaxation in a NiN2S2 complex. / Dougherty, Ryan J.; Golden, Melissa L.; Krishnan, Viswanathan V.

In: Chemical Physics Letters, Vol. 715, 01.01.2019, p. 160-165.

Research output: Contribution to journalArticle

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