Vibrational spectra and structure of cyclopropane-d1 and dicyclopropyl ketone |
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| Institution: | 2. Laboratoire d''Infrarouge Associé au CNRS, Université de Paris-Sud, Bâtiment 350, 91405 Orsay Cédex, France;1. Department of Chemistry, Brunel University, Uxbridge, Middx, UB8 3PH, England;1. Co-Innovation Center of Efficient Processing and Utilization of Forest Resources, Nanjing Forestry University, Nanjing 210037, China;2. College of Chemical Engineering, Jiangsu Key Lab for the Chemistry & Utilization of Agricultural and Forest Biomass, Nanjing Forestry University, Nanjing 210037, China;1. College of Materials and Chemistry, China Jiliang University, Hangzhou, 310018, China;2. Magnetism Key Laboratory of Zhejiang Province, China Jiliang University, Hangzhou, 310018, China;1. Inonu University, Faculty of Nursing, Dept. of Surgical Nursing, Malatya, Turkey;2. Inonu University, Faculty of Nursing, Dept. of Psychiatric Nursing, Malatya, Turkey;3. Inonu Unıversity, Nursing, Malatya, Turkey;1. École Polytechnique Fédérale de Lausanne (EPFL), ENAC-IIE, 1015 Lausanne, Switzerland;2. Paul Scherrer Institut (PSI), ENE, 5232 Villigen PSI, Switzerland;3. National Technical University of Athens (NTUA), LSBTP, 15780 Athens, Greece;4. Centre for Research & Technology Hellas (CERTH), CPERI, 57001 Thermi, Greece |
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| Abstract: | Infrared spectra have been obtained for cyclopropane-d1, C3H5D(CP-d1), in the vapor phase and for dicyclopropyl ketone (C3H5)2 CO (DCPK) in the liquid state. Raman spectra of the latter compound in the liquid and solid phases have also been recorded. By comparing the experimental with the theoretical spectra of CP-d1 it has been possible to assign most of the fundamental frequencies of the molecule. Additionably, empirical spectra—structure correlations from the literature for cyclopropyl derivatives containing the COX moiety (X=halogen) have been used to investigate the conformational preference of DCPK. The experimental results confirm that the molecular configuration with the carbonyl group cis to the planes of the two rings is the predominant species in the liquid state, though evidence for a second conformer, which we tentatively identify as the cis—trans conformer, is presented. |
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