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Volumn , Issue 6, 1998, Pages 987-1009

A combined neutralization-reionization mass spectrometric and theoretical study of oxyallyl and other elusive [C3,H4,O] neutrals

Author keywords

Density functional theory; Ketocarbenes; Methoxy vinylidene; Neutralization reionization mass spectrometry; Oxyallyl

Indexed keywords


EID: 0002244680     PISSN: 1434193X     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1099-0690(199806)1998:6<987::AID-EJOC987>3.0.CO;2-G     Document Type: Article
Times cited : (33)

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    • in ref.[18]
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    • note
    • f(2) = -25 kcal/mol (ref.[40b]), and reinvestigation of these data seems indicated.
  • 151
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    • note
    • Some of the G2 energies given in Figures 2 and 4 have been taken from ref.[39]
  • 155
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    • note
    • •- could not be located on the anion surface, and it is likely to undergo autodetachment in conjunction with cyclization to neutral 8.
  • 161
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    • note
    • SO is not expected to increase very much, because the nature of the electronic structure remains unchanged.
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    • This distonic ion has earlier been characterized experimentally. For example, see: [65a] J. C. Traeger. C. E. Hudson, D. J. McA-doo, Org. Mass Spectrom. 1989, 24, 230. [65b] C. E. Hudson, D. J. McAdoo, Org. Mass Spectrom. 1992, 27, 1384. [65c] K. M. Stirk, J. C. Orlowski, D. T. Leeck, H. I. Kenttämaa, J. Am. Chem. Soc. 1992, 114, 8604.
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    • This distonic ion has earlier been characterized experimentally. For example, see: [65a] J. C. Traeger. C. E. Hudson, D. J. McA-doo, Org. Mass Spectrom. 1989, 24, 230. [65b] C. E. Hudson, D. J. McAdoo, Org. Mass Spectrom. 1992, 27, 1384. [65c] K. M. Stirk, J. C. Orlowski, D. T. Leeck, H. I. Kenttämaa, J. Am. Chem. Soc. 1992, 114, 8604.
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    • This distonic ion has earlier been characterized experimentally. For example, see: [65a] J. C. Traeger. C. E. Hudson, D. J. McA-doo, Org. Mass Spectrom. 1989, 24, 230. [65b] C. E. Hudson, D. J. McAdoo, Org. Mass Spectrom. 1992, 27, 1384. [65c] K. M. Stirk, J. C. Orlowski, D. T. Leeck, H. I. Kenttämaa, J. Am. Chem. Soc. 1992, 114, 8604.
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    • note
    • 4 are observed.
  • 172
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    • For example, see: [71a] P. C. Burgers, J. L. Holmes, Org. Mass Spectrom. 1984, 19, 452. [71lb] H. W. Zappey, S. Ingemann, N. M. M. Nibbering, J. Am. Soc. Mass Spectrom. 1992, 3, 515. [71c] C. A. Schalley, A. Fiedler, G. Hornung, R. Wesendrup, D. Schröder, H. Schwarz, Chem. Eur. J. 1997, 3, 626.
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    • For example, see: [71a] P. C. Burgers, J. L. Holmes, Org. Mass Spectrom. 1984, 19, 452. [71lb] H. W. Zappey, S. Ingemann, N. M. M. Nibbering, J. Am. Soc. Mass Spectrom. 1992, 3, 515. [71c] C. A. Schalley, A. Fiedler, G. Hornung, R. Wesendrup, D. Schröder, H. Schwarz, Chem. Eur. J. 1997, 3, 626.
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    • 2742535438 scopus 로고    scopus 로고
    • note
    • •-. See ref.[30].
  • 176
    • 2742573871 scopus 로고    scopus 로고
    • note
    • 18O labeled oxyallyl, which shows positive signals at ml= 28 and ml= 30.
  • 184
    • 2742545314 scopus 로고    scopus 로고
    • note
    • AS suggested in ref.[24d], the charges of projectile and recovery ions are indicated by superscripts.


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