Nuclear Magnetic Resonance Spectroscopy. Spin-Lattice Relaxation of the Acetic Acid Carboxyl Carbon

Devens Gust; Harry Pearson; Ian M. Armitage; John D. Roberts

doi:10.1021/ja00426a008

Nuclear Magnetic Resonance Spectroscopy. Spin-Lattice Relaxation of the Acetic Acid Carboxyl Carbon

Devens Gust, Harry Pearson, Ian M. Armitage, John D. Roberts

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10 Scopus citations

Abstract

The carbon-13 spin-lattice relaxation times of the carboxyl carbons of acetic acid and its deuterated analogues (CH₃COOD, CD₃COOH, CD₃COOD) have been measured by nuclear magnetic resonance spectroscopy. These measurements reveal that the methyl protons and the hydroxyl proton contribute roughly equally to the total dipolar relaxation of neat acetic acid. Spin-rotation relaxation is also observed in these molecules. The T_i and NOE values for the carboxyl carbon of acetic acid in aqueous solution each demonstrate a small concentration dependence in the region of high acid concentration. Although samples of 1, M acetic acid contaminated with paramagnetic metal ions show a marked pH dependence of T₁ and NOE, the T₁ and NOE values for purified samples are invariant with respect to pH. Some chemical implications of the above behavior are discussed.

Original language	English (US)
Pages (from-to)	2723-2726
Number of pages	4
Journal	Journal of the American Chemical Society
Volume	98
Issue number	10
DOIs	https://doi.org/10.1021/ja00426a008
State	Published - May 1 1976
Externally published	Yes

ASJC Scopus subject areas

Catalysis
General Chemistry
Biochemistry
Colloid and Surface Chemistry

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title = "Nuclear Magnetic Resonance Spectroscopy. Spin-Lattice Relaxation of the Acetic Acid Carboxyl Carbon",

abstract = "The carbon-13 spin-lattice relaxation times of the carboxyl carbons of acetic acid and its deuterated analogues (CH3COOD, CD3COOH, CD3COOD) have been measured by nuclear magnetic resonance spectroscopy. These measurements reveal that the methyl protons and the hydroxyl proton contribute roughly equally to the total dipolar relaxation of neat acetic acid. Spin-rotation relaxation is also observed in these molecules. The Ti and NOE values for the carboxyl carbon of acetic acid in aqueous solution each demonstrate a small concentration dependence in the region of high acid concentration. Although samples of 1, M acetic acid contaminated with paramagnetic metal ions show a marked pH dependence of T1 and NOE, the T1 and NOE values for purified samples are invariant with respect to pH. Some chemical implications of the above behavior are discussed.",

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T1 - Nuclear Magnetic Resonance Spectroscopy. Spin-Lattice Relaxation of the Acetic Acid Carboxyl Carbon

AU - Gust, Devens

AU - Pearson, Harry

AU - Armitage, Ian M.

AU - Roberts, John D.

PY - 1976/5/1

Y1 - 1976/5/1

N2 - The carbon-13 spin-lattice relaxation times of the carboxyl carbons of acetic acid and its deuterated analogues (CH3COOD, CD3COOH, CD3COOD) have been measured by nuclear magnetic resonance spectroscopy. These measurements reveal that the methyl protons and the hydroxyl proton contribute roughly equally to the total dipolar relaxation of neat acetic acid. Spin-rotation relaxation is also observed in these molecules. The Ti and NOE values for the carboxyl carbon of acetic acid in aqueous solution each demonstrate a small concentration dependence in the region of high acid concentration. Although samples of 1, M acetic acid contaminated with paramagnetic metal ions show a marked pH dependence of T1 and NOE, the T1 and NOE values for purified samples are invariant with respect to pH. Some chemical implications of the above behavior are discussed.

AB - The carbon-13 spin-lattice relaxation times of the carboxyl carbons of acetic acid and its deuterated analogues (CH3COOD, CD3COOH, CD3COOD) have been measured by nuclear magnetic resonance spectroscopy. These measurements reveal that the methyl protons and the hydroxyl proton contribute roughly equally to the total dipolar relaxation of neat acetic acid. Spin-rotation relaxation is also observed in these molecules. The Ti and NOE values for the carboxyl carbon of acetic acid in aqueous solution each demonstrate a small concentration dependence in the region of high acid concentration. Although samples of 1, M acetic acid contaminated with paramagnetic metal ions show a marked pH dependence of T1 and NOE, the T1 and NOE values for purified samples are invariant with respect to pH. Some chemical implications of the above behavior are discussed.

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Nuclear Magnetic Resonance Spectroscopy. Spin-Lattice Relaxation of the Acetic Acid Carboxyl Carbon

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