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Volumn 122, Issue 13, 2005, Pages

Rotational spectrum, inversion, and geometry of 2,5- dihydrofuran⋯ethyne and a generalization about Z⋯H-C hydrogen bonds

Author keywords

[No Author keywords available]

Indexed keywords

DISTORTION CONSTANTS; ISOTOPOMERS; PROTON DONOR; ROTATIONAL SPECTRUM;

EID: 24144479793     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1867353     Document Type: Article
Times cited : (12)

References (48)
  • 4
    • 33645630073 scopus 로고    scopus 로고
    • note
    • 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(4) ° was obtained for oxirane⋯HCCH by a fit to the rotational constants of nine isotopomers, including those, so far unpublished, of (CH2) 2 O⋯H C 13 CH, (CH2) 2 O⋯HC C 13 H, and (CH213) (CH2) O⋯HCCH. S. G. Batten and A. C. Legon (unpublished), and those reported in Ref..
  • 19
    • 33645628654 scopus 로고    scopus 로고
    • note
    • 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 S. G. Batten and A. C. Legon (unpublished).
  • 23
    • 0003400233 scopus 로고
    • edited by G.Scoles (Oxford University Press, New York
    • A. C. Legon, in Atomic and Molecular Beam Methods, edited by, G. Scoles, (Oxford University Press, New York, 1992), Vol. 2, Chap..
    • (1992) Atomic and Molecular Beam Methods , vol.2
    • Legon, A.C.1
  • 25
    • 84856121956 scopus 로고    scopus 로고
    • 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.
    • 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.
  • 26
    • 84856130379 scopus 로고    scopus 로고
    • 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.
    • EPAPS Document No. E-JCPSA6-122-014513 , vol.E-JCPSA6-122-014513
  • 48
    • 1842763826 scopus 로고    scopus 로고
    • T. Steiner, Chem. Commun. 1997, 727.
    • , vol.1997 , pp. 727
    • Steiner, T.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.