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

  1. Écija, P. 1
  2. Uriarte, Iciar . 1
  3. Basterretxea, F.J. 1
  4. Millán, J. 2
  5. Lesarri, A. 3
  6. Fernández, J.A. 1
  7. Cocinero, E.J. 1
  1. 1 Universidad del País Vasco/Euskal Herriko Unibertsitatea
    info

    Universidad del País Vasco/Euskal Herriko Unibertsitatea

    Lejona, España

    ROR https://ror.org/000xsnr85

  2. 2 Universidad de La Rioja
    info

    Universidad de La Rioja

    Logroño, España

    ROR https://ror.org/0553yr311

  3. 3 Universidad de Valladolid
    info

    Universidad de Valladolid

    Valladolid, España

    ROR https://ror.org/01fvbaw18

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Journal:
ChemPhysChem

ISSN: 1439-4235

Year of publication: 2015

Volume: 16

Issue: 12

Pages: 2609-2614

Type: Article

DOI: 10.1002/CPHC.201500334 SCOPUS: 2-s2.0-84939252632 WoS: WOS:000359906900015 GOOGLE SCHOLAR

More publications in: ChemPhysChem

Abstract

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.