Structural Distortion of the Epoxy Groups in Norbornanes: A Rotational Study of exo-2,3-Epoxynorbornane

Exo‐2,3‐epoxynorbornane is studied in the gas phase by pulsed jet Fourier transform microwave spectroscopy in the 4–18 GHz region. Six isotopologues were observed and characterized in their natural abundance. The experimental substitution and effective structures were obtained. Comparison with the s...

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Veröffentlicht in:Chemphyschem 2015-08, Vol.16 (12), p.2609-2614
Hauptverfasser: Écija, Patricia, Uriarte, Iciar, Basterretxea, Francisco J., Millán, Judith, Lesarri, Alberto, Fernández, José A., Cocinero, Emilio J.
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Sprache:eng
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Zusammenfassung:Exo‐2,3‐epoxynorbornane is studied in the gas phase by pulsed jet Fourier transform microwave spectroscopy in the 4–18 GHz region. Six isotopologues were observed and characterized in their natural abundance. The experimental substitution and effective structures were obtained. Comparison with the structure of norbornane shows significant differences in several bond lengths and valence angles upon introduction of the epoxy group. All the work is supported by quantum chemical calculations. A strained relationship: The structure of exo‐2,3‐epoxynorbornane is determined through the detection of six isotopologues by rotational spectroscopy. Comparison with norbornane shows the influence of epoxy groups in this type of strained molecule.
ISSN:1439-4235
1439-7641
DOI:10.1002/cphc.201500334