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- W2754994209 abstract "Abstract The gas phase NMR experiments perform a vital role in establishing the magnetic shielding and spin-spin coupling constants which are free from intermolecular interactions, equivalent to the parameter of isolated molecules. This work is concerned with an acetaldehyde molecule. Small amounts of acetaldehyde 13 CH 3 13 CHO in gaseous matrices of CO 2 and Xe were studied using high-precision 1 H and 13 C NMR measurements. Results were extrapolated to the zero-density limit permitting the determinations of the 1 H and 13 C absolute nuclear magnetic shielding of an isolated acetaldehyde molecule. The difference between the experimental and recent theoretical DFT results is discussed. Several samples of 13 CH 3 13 CHO dissolved in popular organic and inorganic solvents were also investigated. Gas-to-solution shifts show the influence of the association process when acetaldehyde is transferred from gas to liquid state. Several spin-spin coupling constants in the gas phase and in different solvents were precisely measured." @default.
- W2754994209 created "2017-09-25" @default.
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- W2754994209 date "2018-01-01" @default.
- W2754994209 modified "2023-09-26" @default.
- W2754994209 title "Liquid and gas phase NMR spectra of 13CH313CHO acetaldehyde" @default.
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- W2754994209 doi "https://doi.org/10.1016/j.molstruc.2017.09.066" @default.
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