Experimental link between the /sup 13/C NMR chemical shift of carbonyl carbons and the energy shifts observed in the n. -->. 3s optical transition of cyclic ketones

Journal Article · Wed Sep 14 00:00:00 EDT 1988 · J. Am. Chem. Soc.; (United States)

DOI:https://doi.org/10.1021/ja00227a001· OSTI ID:6187822

Cornish, T J; Baer, T

The n ..-->.. 3s transition energies of cold methylcyclopentanones and -cyclohexanones, as well as those of some branched-chain and bicyclic ketones, have been measured with 2 + 1 resonance-enhanced multiphoton ionization (REMPI). The energy shifts of the n ..-->.. 3s transition origins are found to correlate in a linear fashion with reported /sup 13/C NMR chemical shifts of the carbonyl carbon atoms. Several possible explanations for the experimental connection to NMR are discussed including consideration of both the paramagnetic and diamagnetic shielding contributions to the total chemical shift. 31 references, 3 figures, 1 table.

• Research Organization: Univ. of North Carolina, Chapel Hill (USA)
• OSTI ID: 6187822
• Journal Information: J. Am. Chem. Soc.; (United States), Vol. 110:19
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
KETONES
CHEMICAL SHIFT
CARBON 13
EXPERIMENTAL DATA
NUCLEAR MAGNETIC RESONANCE
CARBON ISOTOPES
DATA
EVEN-ODD NUCLEI
INFORMATION
ISOTOPES
LIGHT NUCLEI
MAGNETIC RESONANCE
NUCLEI
NUMERICAL DATA
ORGANIC COMPOUNDS
RESONANCE
STABLE ISOTOPES
400201* - Chemical & Physicochemical Properties
400202 - Isotope Effects
Isotope Exchange
& Isotope Separation