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4
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33645630073
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note
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The revised geometry r (O⋯H) =2.392 (20) Å, φ=90.4 (12) °, and θ=29.8 (4) ° was obtained for oxirane⋯HCCH by a fit to the rotational constants of nine isotopomers, including those, so far unpublished, of (CH2) 2 O⋯H C 13 CH, (CH2) 2 O⋯HC C 13 H, and (CH213) (CH2) O⋯HCCH. S. G. Batten and A. C. Legon (unpublished), and those reported in Ref..
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18
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0001701901
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A. C. Legon, A. L. Wallwork, and H. E. Warner, J. Chem. Soc., Faraday Trans. 87, 3327 (1991).
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(1991)
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Legon, A.C.1
Wallwork, A.L.2
Warner, H.E.3
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19
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33645628654
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note
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A recent investigation of the isotopomers (CH213) (CH2) S⋯HBr and (CH2) 2 S34 ⋯HBr has allowed a revised determination of the geometry of thiirane⋯HBr by a fit of the rotational constants for five isotopomers. The result differs slightly from that given in Ref. and is as follows: r (S⋯H) 2.289 (16) Å, φ=93.9 (12) °, and θ=19.4 (2) °. S. G. Batten and A. C. Legon (unpublished).
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20
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33751058314
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S. A. Cooke, G. K. Corlett, C. M. Evans, and A. C. Legon, J. Chem. Soc., Faraday Trans. 93, 2973 (1997).
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Cooke, S.A.1
Corlett, G.K.2
Evans, C.M.3
Legon, A.C.4
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23
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0003400233
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edited by G.Scoles (Oxford University Press, New York
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A. C. Legon, in Atomic and Molecular Beam Methods, edited by, G. Scoles, (Oxford University Press, New York, 1992), Vol. 2, Chap..
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(1992)
Atomic and Molecular Beam Methods
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Legon, A.C.1
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25
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84856121956
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Clear oil; (Found: M+, 72.0540. C4 H4 D2 O requires 72.0544); δH (300 MHz; CDCl3) 4.65 (2 H, s, CH2); δC (100 MHz; CDCl3) 125.8 (t, J 25.8, CD), 75.4 (CH2); mz (EI) 72 (M+, 66%), 71 (100), 55 (23). The boiling fraction 80-100 °C (0.70 g) contained a 1.4:1 mixture of the title compound and 2,3-dideuterobut-2-enal by H1 -NMR spectroscopy.
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Clear oil; (Found: M+, 72.0540. C4 H4 D2 O requires 72.0544); δH (300 MHz; CDCl3) 4.65 (2 H, s, CH2); δC (100 MHz; CDCl3) 125.8 (t, J 25.8, CD), 75.4 (CH2); mz (EI) 72 (M+, 66%), 71 (100), 55 (23). The boiling fraction 80-100 °C (0.70 g) contained a 1.4:1 mixture of the title compound and 2,3-dideuterobut-2-enal by H1 -NMR spectroscopy.
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26
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84856130379
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See EPAPS Document No. E-JCPSA6-122-014513 for Tables S1 and S2, which contain frequencies and residuals from the least-squares fit of the rotational transitions of nine isotopomers of C4 H6 O⋯HCCH. A direct link to this document may be found in the online article's HTML reference section. The document may also be reached via the EPAPS homepage (http://www.aip.org/ pubservs/epaps.html) or from ftp.aip.org in the directory /epaps/. See the EPAPS homepage for more information.
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EPAPS Document No. E-JCPSA6-122-014513
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0242323021
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edited by A.Weissberger (Wiley, New York
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