Low-temperature FAB mass and NMR spectroscopic identification of unstable episulfoxides

Journal of Organic Chemistry

Volumn 64, Issue 5, 1999, Pages 1432-1433

  Greer, Alexander ^a   Conklin, Kenneth A ^a   Faull, Kym ^a   Houk, K N ^a   Foote, Christopher S ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

SULFOXIDE;

ARTICLE; CARBON NUCLEAR MAGNETIC RESONANCE; CHEMICAL STRUCTURE; FAST ATOM BOMBARDMENT MASS SPECTROMETRY; STEREOCHEMISTRY; THERMOSTABILITY;

EID: 0033525697     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo9823285     Document Type: Article

References (28)

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18. (13 ) Positive-ion FAB mass spectra were collected on a VG ZAB-SE reverse geometry, extended mass range, magnetic sector mass spectrometer. The xenon and cesium guns were operated at 8 kV (1 mA) and 22 kV (1-2 mA), respectively, accelerating voltage of 8 kV.
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27. For comparison, the geometry of the B3LYP/6-31G*-optimized structure of ethylene episulfoxide is in fair agreement with the (experimental) values: S-O = 1.489 Å (1.483 Å); C-S = 1.862 Å (1.822 Å); > OSC = 112.6° (111.1°); >CSC = 47.1° (48.5°). Saito, S. Bull. Chem. Soc. Jpn. 1969, 42, 663.
28. "In" denotes syn geometry relative to the CC of the ring; "out" denotes anti geometry relative to the ring.