Abstract
Threshold photoionization mass spectrometry has been used to measure appearance energies for the formation of C2H4O+• from seven different precursor molecules, resulting in a 298 K cationic heat of formation for the vinyl alcohol cation of 770.6 ± 1.3 kJ mol−1. This leads to a derived experimental value of −114.2 ± 6.1 kJ mol−1 for neutral vinyl alcohol. Both values are in good agreement with high level G2 ab initio calculations.
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References
1.
Bertrand
W.
Bouchoux
G.
, Rapid Commun. Mass Spectrom. 12 , 1697 (1998 ).
2.
Turecek
F.
Cramer
C.J.
, J. Am. Chem. Soc. 117 , 12243 (1995 ).
3.
Heinrich
N.
Koch
W.
Frenking
G.
Schwarz
H.
, J. Am. Chem. Soc. 108 , 593 (1986 ).
4.
Bouma
W.J.
MacLeod
J.K.
Radom
L.
, J. Am. Chem. Soc. 101 , 5540 (1979 ).
5.
Lias
S.G.
Bartmess
J.E.
Liebman
J.F.
Holmes
J.L.
Levin
R.D.
Mallard
W.G.
, J. Phys. Chem. Ref. Data 17 , Suppl. 1 (1988 ).
6.
Holmes
J.L.
Lossing
F.P.
, J. Am. Chem. Soc. 104 , 2648 (1982 ).
7.
Albrecht
B.
Allan
M.
Haselbach
E.
Neuhaus
L.
, Helv. Chim. Acta 67 , 216 (1984 ).
8.
Iraqi
M.
Pri-Bar
I.
Lifshitz
C.
, Org. Mass Spectrom. 21 , 661 (1986 ).
9.
Matti
G.Y.
Osman
O.I.
Upham
J.E.
Suffolk
R.J.
Kroto
H.W.
, J. Electron. Spectrosc. Relat. Phenom. 49 , 195 (1989 ).
10.
Ruscic
B.
Berkowitz
J.
, J. Chem. Phys. 101 , 10936 (1994 ).
11.NIST Chemistry WebBook, NIST Standard Reference Database Number 69 , Ed by
Mallard
W.G.
Linstrom
P.J.
, National Institute of Standards and Technology , Gaithersburg, MD ; http://webbook.nist.gov (November 1998 ).
12.
Holmes
J.L.
Terlouw
J.K.
Lossing
F.P.
, J. Phys. Chem. 80 , 2860 (1976 ).
13.
Traeger
J.C.
McLoughlin
R.G.
, J. Am. Chem. Soc. 103 , 3647 (1981 ).
14.
Traeger
J.C.
Kompé
B.M.
, in Energetics of Organic Free Radicals , Ed by
Simões
J.A.M.
Greenburg
A.
Liebman
J.F.
, Blackie Academic & Professional , Glasgow , p. 59 (1996 ).
15.
Bouchoux
G.
Alcaraz
C.
Dutuit
O.
Nguyen
M.T.
, Int. J. Mass Spectrom. Ion Processes 137 , 93 (1994 ).
16.
Traeger
J.C.
, Int. J. Mass Spectrom. Ion Processes 58 , 259 (1984 ).
17.
Chase
M.W.
Davies
C.A.
Downey
J.R.
Frurip
D.J.
McDonald
R.A.
Syverud
A.N.
, J. Phys. Chem. Ref. Data 14 , Suppl. 1 (JANAF Thermochemical Tables, 3rd Edn ) (1985 ).
18.
Bartmess
J.E.
, J. Phys. Chem. 98 , 6420 (1994 ).
19.
Pedley
J.B.
Naylor
R.D.
Kirby
S.P.
, Thermochemical Data of Organic Compounds , 2nd Edn. Chapman and Hall , London (1986 ).
20.
Shao
J.D.
Baer
T.
Lewis
D.K.
, J. Phys. Chem. 92 , 5123 (1988 ).
21.
Peel
J.B.
Willett
G.D.
, Aust. J. Chem. 28 , 2357 (1975 ).
22.
Holmes
J.L.
Fingas
M.
Lossing
F.P.
, Can. J. Chem. 59 , 80 (1981 ).
23.
Bowen
R.D.
Maccoll
A.
, Org. Mass Spectrom. 19 , 379 (1984 ).
24.
Rocek
J.
Radkowsky
A.E.
, J. Am. Chem. Soc. 95 , 7123 (1973 ).
25.
Wiberg
K.B.
Crocker
L.S.
Morgan
K.M.
, J. Am. Chem. Soc. 113 , 3447 (1991 ).
26.
Ashmore
F.S.
Burgess
A.R.
, J. Chem. Soc. Faraday Trans. 2 73 , 1247 (1977 ).
27.
Traeger
J.C.
Hudson
C.E.
McAdoo
D.J.
, J. Mass Spectrom. 34 , 835 (1999 ).
28.
Kimura
K.
Katsumata
S.
Yamazaki
T.
Wakabayashi
H.
, J. Electron Spectrosc. Relat. Phenom. 6 , 41 (1975 ).
29.
Traeger
J.C.
McAdoo
D.J.
, Int. J. Mass Spectrom. Ion Processes 68 , 35 (1986 ).
30.
Hernandez
R.
Masclet
P.
Mouvier
G.
, J. Electron Spectrosc. Relat. Phenom. 10 , 333 (1977 ).
31.
Ashmore
F.S.
Burgess
A.R.
, J. Chem. Soc. Faraday Trans. 2 74 , 734 (1978 ).
32.
Watanabe
K.
Nakayama
T.
Mottl
J.
, J. Quant. Spec. Radiative Transfer 2 , 369 (1962 ).
33.
Benoit
F.M.
Harrison
A.G.
, J. Am. Chem. Soc. 99 , 3980 (1977 ).
34.
Smith
B.J.
Nguyen
M.T.
Bouma
W.J.
Radom
L.
, J. Am. Chem. Soc. 113 , 6452 (1991 ).
35.
Chao
J.
Wilhoit
R.C.
Zwolinski
B.J.
, J. Phys. Chem. Ref. Data 2 , 427 (1973 ).
36.
Chao
J.
Zwolinski
B.J.
, J. Phys. Chem. Ref. Data 4 , 251 (1975 ).
37.
Traeger
J.C.
, Org. Mass Spectrom. 20 , 223 (1985 ).
