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Volumn 44, Issue 20, 2005, Pages 3092-3096

Generation of the elusive meta-benzoquinone in the gas phase

Author keywords

Decarbonylation; Density functional calculations; Mass spectrometry; Quinones; Radical ions

Indexed keywords

COMPUTATIONAL METHODS; IONIZATION; MASS SPECTROMETRY; MATRIX ALGEBRA;

EID: 18844457877     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200461783     Document Type: Article
Times cited : (24)

References (40)
  • 11
    • 18844446428 scopus 로고    scopus 로고
    • note
    • [10] However, neither precise details of the reaction conditions and yields nor spectroscopic data were provided; the major interest in ref. [10] was the reaction kinetics. Further, we note that the reported melting points of the isolated solid (120-121°C) and its mono-2,4-dinitrophenylhydrazone (185-187°C) are close to the corresponding values of para-benzoquinone and its hydrazone derivative, respectively (115°C and 186°C, respectively). Several attempts in our laboratory to reproduce the reported procedure failed and instead led to iodoresorcinols as well as phenol-coupling products; para-benzoquinone was not even detected as a by-product.
  • 17
    • 18844377161 scopus 로고    scopus 로고
    • note
    • 2 (80% T) and the deflector was grounded. Usually 10-50 scans were averaged to improve the signal-to-noise ratio, and the final data were derived from two to six independent measurements.
  • 21
    • 18844381851 scopus 로고    scopus 로고
    • note
    • ZPV.
  • 30
    • 18844422444 scopus 로고    scopus 로고
    • note
    • 3-resorcinol (< 4%).
  • 31
    • 18844435153 scopus 로고    scopus 로고
    • note
    • •-, rather than ring-deprotonated forms.
  • 32
    • 18844444488 scopus 로고    scopus 로고
    • note
    • [2] The authors claim generation of 75% of desired meta-xylylene and 25% of anions with one of the hydrogen atoms eliminated from the ring.
  • 33
    • 18844443957 scopus 로고    scopus 로고
    • note
    • •- ions.
  • 34
    • 18844399105 scopus 로고    scopus 로고
    • note
    • 2 state should be taken with some caution because the description of an open-shell singlet state with single reference methods, like B3LYP, inevitably encounters spin-contamination by the triplet state.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.