Deuterium isotope effects on the 13C-H coupling constants in acetylene
Creators
- 1. Moskovskij Gosudarstvennyj Univ. (USSR). Khimicheskij Fakul'tet
Description
13C NMR spectra of a mixture of deuterated acetylenes containing 1H13C12C1H, 1H13C12CD, 1H12C13CD and D13C12CD isotopomers have been measured. Saturated solutions of acetylene in acetone were studied. The 13C-D coupling constants were reduced to a 13C-H basis using the relationship J(C,H) = 6.5144.J(C,D). The primary isotope effects on 1J(C,H) and 2J(C,H) were found to be -0.64 +- 0.10 and +0.09 +- 0.13 Hz, and the secondary isotope effects on 1J(C,H) and 2J(C,H) were equal to +0.10 +- 0.05 and +0.25 +-0.05 Hz, respectively. The deuterium isotope effects upon 13C chemical shifts were also determined. The α effect was normal, -0.223 ppm, while the β effect was unusually large, -0.438 ppm. The isotope effects on the 13C-H coupling constants and the 13C chemical shifts were shown to be additive. (author)
Additional details
Publishing Information
- Journal Title
- J. Magn. Resonance
- Journal Volume
- 60
- Journal Issue
- 2
- Series
- J. Magn. Resonance.
- Journal Page Range
- 177-183
- ISSN
- 0022-2364
- CODEN
- JOMRA
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- United Kingdom
- INIS RN
- 17008739
- Subject category
- S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Descriptors DEI
- ACETYLENE; CARBON 12; CARBON 13; CHEMICAL SHIFT; COUPLING CONSTANTS; DEUTERATION; DEUTERIUM; DEUTERIUM COMPOUNDS; ISOTOPE EFFECTS; J-J COUPLING; MIXTURES; NMR SPECTRA
- Descriptors DEC
- ALKYNES; CARBON ISOTOPES; CHEMICAL REACTIONS; COUPLING; DISPERSIONS; EVEN-EVEN NUCLEI; EVEN-ODD NUCLEI; HYDROCARBONS; HYDROGEN COMPOUNDS; HYDROGEN ISOTOPES; INTERMEDIATE COUPLING; ISOTOPES; LIGHT NUCLEI; NUCLEI; ODD-ODD NUCLEI; ORGANIC COMPOUNDS; SPECTRA; STABLE ISOTOPES