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2
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0347723651
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D. Schröder, J. N. Harvey, H. Schwarz, J. Phys. Chem. A 1998, 102, 3639.
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4244182785
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D. Schröder, M. Diefenbach, T. M. Klapötke, H. Schwarz, Angew. Chem. 1999, 111, 206;
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Schröder, D.1
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0000678198
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a) D. Schröder, J. Hrušák, I. C. Tornieporth-Oetting, T. M. Klapötke, H. Schwarz, Angew. Chem. 1994, 106, 223;
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Schröder, D.1
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7
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0001460368
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b) P. Schwerdtfeger, J. S. McFeaters, R. L. Stephens, M. J. Liddell, M. Dolg, B. A. Hess, Chem. Phys. Lett. 1994, 218, 362;
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8
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0001623562
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c) M. Iliaš, P. Furdik, M. Urban, J. Phys. Chem. A 1998, 102, 5263;
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11
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0001425013
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P. Schwerdtfeger, J. S. McFeaters, M. J. Liddell, J. Hrušá k, H. Schwarz, J. Chem. Phys. 1995, 103, 245.
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Schwerdtfeger, P.1
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12
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0001274885
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R. Brown, P. Schwerdtfeger, D. Schröder, H. Schwarz, J. Am. Soc. Mass Spectrom. 2002, 13, 485.
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Brown, R.1
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Schwarz, H.4
-
17
-
-
22144451816
-
-
note
-
+ beam in the vicinity of the detector, these should give rise to signals at the correct m/z values of the two Tl isotopes in the B(1) scan. Even though the detector was set to maximal sensitivity, no photons could be observed.
-
-
-
-
18
-
-
0001387611
-
-
C. A. Schalley, D. Schröder, H. Schwarz, Int. J. Mass Spectrom. Ion Processes 1996, 153, 173.
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Schalley, C.A.1
Schröder, D.2
Schwarz, H.3
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19
-
-
0011525683
-
-
See also: a) E. Murad, D. L. Hildenbrand, R. P. Main, J. Chem. Phys. 1966, 45, 263;
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J. Chem. Phys.
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Murad, E.1
Hildenbrand, D.L.2
Main, R.P.3
-
22
-
-
22144485171
-
-
note
-
+ species formed, the low pressures applied in the ion source as well as the favorable Franck-Condon factors for the ionization of neutral TlF into low-lying cation states (see text) discount the need to include this issue in the further discussion.
-
-
-
-
23
-
-
22144450303
-
-
note
-
Ion dissociation owing to collisional activation by background gases was found to be negligible.
-
-
-
-
24
-
-
0004024840
-
-
Elsevier, Amsterdam
-
R. G. Cooks, J. H. Beynon, R. M. Caprioli, G. R. Lester, Metastable Ions, Elsevier, Amsterdam, 1973.
-
(1973)
Metastable Ions
-
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Cooks, R.G.1
Beynon, J.H.2
Caprioli, R.M.3
Lester, G.R.4
-
25
-
-
84985455440
-
-
and references therein
-
R. G. Cooks, J. H. Beynon, J. F. Litton, Org. Mass Spectrom. 1975, 10, 503, and references therein.
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(1975)
Org. Mass Spectrom.
, vol.10
, pp. 503
-
-
Cooks, R.G.1
Beynon, J.H.2
Litton, J.F.3
-
26
-
-
22144483405
-
-
note
-
min = 19.7 ± 1.1 eV can be extracted from experiment.
-
-
-
-
27
-
-
0009836053
-
-
a) P. Dai, S. McCullough-Catalano, M. Bolton, A. D. Jones, C. B. Lebrilla, Int. J. Mass Spectrom. Ion Processes 1995, 144, 67;
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-
Dai, P.1
McCullough-Catalano, S.2
Bolton, M.3
Jones, A.D.4
Lebrilla, C.B.5
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28
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-
0000203049
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-
b) C. Heinemann, D. Schröder, H. Schwarz, J. Phys. Chem. 1995, 99, 16195.
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(1995)
J. Phys. Chem.
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-
-
Heinemann, C.1
Schröder, D.2
Schwarz, H.3
-
29
-
-
22144454272
-
-
note
-
2+ according to Equation (2).
-
-
-
-
30
-
-
22144475822
-
-
note
-
[20] For fluorine, the aug-cc-pVQZ basis set has been used. The 5s and 5p orbitals of thallium and the 1s orbital of fluorine were left uncorrelated. The MR-AQCC calculations use a reference CASSCF wave function with 13 active orbitals (full valence space covering the Tl 5d/6s/6p and F 2s/2p atomic orbitals).
-
-
-
-
31
-
-
2442698868
-
-
MOLPRO (version 2002.3) is a package of ab initio programs written by H.-J. Werner, P. J. Knowles, M. Schütz, R. Lindh, P. Celani, T. Korona, G. Rauhut, F. R. Manby, R. D. Amos, A. Bernhardsson, A. Berning, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, A. W. Lloyd, S. J. McNicholas, W. Meyer, M. E. Mura, A. Nicklaß, P. Palmieri, R. Pitzer, U. Schumann, H. Stoll, A. J. Stone, R. Tarroni, T. Thorsteinsson.
-
MOLPRO (Version 2002.3)
-
-
Werner, H.-J.1
Knowles, P.J.2
Schütz, M.3
Lindh, R.4
Celani, P.5
Korona, T.6
Rauhut, G.7
Manby, F.R.8
Amos, R.D.9
Bernhardsson, A.10
Berning, A.11
Cooper, D.L.12
Deegan, M.J.O.13
Dobbyn, A.J.14
Eckert, F.15
Hampel, C.16
Hetzer, G.17
Lloyd, A.W.18
McNicholas, S.J.19
Meyer, W.20
Mura, M.E.21
Nicklaß, A.22
Palmieri, P.23
Pitzer, R.24
Schumann, U.25
Stoll, H.26
Stone, A.J.27
Tarroni, R.28
Thorsteinsson, T.29
more..
-
32
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-
22144444175
-
-
B. Metz, M. Schweizer, H. Stoll, M. Dolg, W. Liu, Theor. Chem. Acc. 2000, 104.
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Theor. Chem. Acc.
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Metz, B.1
Schweizer, M.2
Stoll, H.3
Dolg, M.4
Liu, W.5
-
33
-
-
22144493324
-
-
note
-
+ which shift the state-averaged atomic asymptotes lower by 0.644, 0.967, 0.017, and 0.021 eV, respectively.
-
-
-
-
34
-
-
22144476523
-
-
see ref. [10b]
-
For a discussion of several values, see ref. [10b].
-
-
-
-
35
-
-
8344240622
-
-
National Institute of Standards, Gaithersburg
-
Taken from: NIST Standard Reference Database #69, National Institute of Standards, Gaithersburg, 2003, see: http://webbook.nist.gov/chemistry/.
-
(2003)
NIST Standard Reference Database #69
-
-
-
37
-
-
34250911987
-
-
G. Gamow, Z. Phys. 1928, 51, 204.
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(1928)
Z. Phys.
, vol.51
, pp. 204
-
-
Gamow, G.1
-
38
-
-
22144468393
-
-
note
-
hν.i = 3.7 eV might escape detection.
-
-
-
-
39
-
-
8944228142
-
-
To our knowledge, there is no precedent of this particular experiment. However, photon emission upon collisional activation has already been observed in sector instruments, see: a) J. L. Holmes, P. M. Mayer, A. A. Mommers, J. Am. Chem. Soc. 1991, 113, 9405;
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(1991)
J. Am. Chem. Soc.
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, pp. 9405
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-
Holmes, J.L.1
Mayer, P.M.2
Mommers, A.A.3
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40
-
-
8944251747
-
-
b) J. L. Holmes, P. M. Mayer, A. A. Mommers, Int. J. Mass Spectrom. Ion Processes 1994, 135, 213;
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(1994)
Int. J. Mass Spectrom. Ion Processes
, vol.135
, pp. 213
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Holmes, J.L.1
Mayer, P.M.2
Mommers, A.A.3
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42
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0347847488
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D. Schröder, J. N. Harvey, M. Aschi, H. Schwarz, J. Chem. Phys. 1998, 108, 8446.
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J. Chem. Phys.
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Schröder, D.1
Harvey, J.N.2
Aschi, M.3
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43
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0037119310
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a) F. Cacace, G. de Petris, M. Rosi, A. Troiani, Chem. Eur. J. 2002, 8, 3653;
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Chem. Eur. J.
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Cacace, F.1
De Petris, G.2
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Troiani, A.4
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44
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0037122216
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b) F. Cacace, G. de Petris, M. Rosi, A. Troiani, Chem. Eur. J. 2002, 8, 5684.
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Chem. Eur. J.
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Cacace, F.1
De Petris, G.2
Rosi, M.3
Troiani, A.4
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45
-
-
2942650910
-
-
and references therein
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4; see: E. E. Rennie, P. M. Mayer, J. Chem. Phys. 2004, 120, 10561, and references therein.
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Rennie, E.E.1
Mayer, P.M.2
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