-
1
-
-
0032366914
-
-
NIST Chemistry WebBook: http://webbook.nist.gov/chemistry/. Hunter, E. P. L.; Lias, S. G. J. Phys. Chem. Ref. Data 1998, 27, 413-656.
-
NIST Chemistry WebBook: http://webbook.nist.gov/chemistry/. Hunter, E. P. L.; Lias, S. G. J. Phys. Chem. Ref. Data 1998, 27, 413-656.
-
-
-
-
3
-
-
34547112881
-
-
Richards, K. E.; Wilkinson, A. L.; Wright, G. J. Aust. J. Chem. 1972, 25, 2369-2381.
-
(1972)
Aust. J. Chem
, vol.25
, pp. 2369-2381
-
-
Richards, K.E.1
Wilkinson, A.L.2
Wright, G.J.3
-
4
-
-
0004272649
-
-
4th ed, Macmillan: New York
-
Streitwieser, A., Jr.; Heathcock, C. H.; Kosower, E. M. Introduction to Organic Chemistry, 4th ed.; Macmillan: New York, 1992; pp 712-714.
-
(1992)
Introduction to Organic Chemistry
, pp. 712-714
-
-
Streitwieser Jr., A.1
Heathcock, C.H.2
Kosower, E.M.3
-
5
-
-
34547135755
-
-
Pohanish, R. Toxic and Hazardous Chemicals and Carcinogens, 4th ed.; Noyes Publications: Westwood, NJ, 2002; pp 310 and 2223.
-
Pohanish, R. Toxic and Hazardous Chemicals and Carcinogens, 4th ed.; Noyes Publications: Westwood, NJ, 2002; pp 310 and 2223.
-
-
-
-
6
-
-
0037014699
-
-
Karlsen, T.; Børve, K. J.; Sæthre, L. J.; Wiesner, K.; Bässler, M.; Svensson, S. J. Am. Chem. Soc. 2002, 124, 7866-7873.
-
(2002)
J. Am. Chem. Soc
, vol.124
, pp. 7866-7873
-
-
Karlsen, T.1
Børve, K.J.2
Sæthre, L.J.3
Wiesner, K.4
Bässler, M.5
Svensson, S.6
-
7
-
-
0000099450
-
-
Sæthre, L. J.; Sværen, O.; Svensson, S.; Osborne, S.; Thomas, T. D.; Jauhiainen, J.; Aksela, S. Phys. Rev. A 1997, 55, 2748-2756.
-
(1997)
Phys. Rev. A
, vol.55
, pp. 2748-2756
-
-
Sæthre, L.J.1
Sværen, O.2
Svensson, S.3
Osborne, S.4
Thomas, T.D.5
Jauhiainen, J.6
Aksela, S.7
-
8
-
-
0001722755
-
-
Sæthre, L. J.; Thomas, T. D.; Svensson, S. J. Chem. Soc., Perkin Trans. 1997, 2, 749-755.
-
(1997)
J. Chem. Soc., Perkin Trans
, vol.2
, pp. 749-755
-
-
Sæthre, L.J.1
Thomas, T.D.2
Svensson, S.3
-
9
-
-
21644476886
-
-
Thomas, T. D.; Sæthre, L. J.; Børve, K. J.; Gundersen, M.; Kukk, E. J. Phys. Chem. A 2005, 109, 5085-5092.
-
(2005)
J. Phys. Chem. A
, vol.109
, pp. 5085-5092
-
-
Thomas, T.D.1
Sæthre, L.J.2
Børve, K.J.3
Gundersen, M.4
Kukk, E.5
-
10
-
-
0004053307
-
-
Shorter, J, Eds, Plenum: New York
-
Exner, O. In Correlation Analysis in Chemistry; Chapman, Norman B., Shorter, J., Eds.; Plenum: New York 1975; pp 439-546.
-
(1975)
Correlation Analysis in Chemistry; Chapman, Norman B
, pp. 439-546
-
-
Exner, O.1
-
11
-
-
37049129977
-
-
Clark, D. T.; Kilcast, D.; Adams, D. B.; Musgrave, W. K. R. Chem. Commun. 1971, 516-518.
-
(1971)
Chem. Commun
, pp. 516-518
-
-
Clark, D.T.1
Kilcast, D.2
Adams, D.B.3
Musgrave, W.K.R.4
-
12
-
-
0001679056
-
-
Ohta, T.; Fujikawa, T.; Kuroda, H. Bull. Chem. Soc. Jpn. 1975, 48, 2017-2024.
-
(1975)
Bull. Chem. Soc. Jpn
, vol.48
, pp. 2017-2024
-
-
Ohta, T.1
Fujikawa, T.2
Kuroda, H.3
-
19
-
-
0007464124
-
-
(g) Nordfors, D.; Mårtensson, N.; Agren, H. J. Electron Spectrosc. Relat. Phenom. 1990, 53, 129-139.
-
(1990)
J. Electron Spectrosc. Relat. Phenom
, vol.53
, pp. 129-139
-
-
Nordfors, D.1
Mårtensson, N.2
Agren, H.3
-
20
-
-
0342858517
-
-
(h) Nordfors, D.; Martensson, N.; Ågren, H. J. Electron Spectrosc. Relat. Phenom. 1991, 56, 167-187.
-
(1991)
J. Electron Spectrosc. Relat. Phenom
, vol.56
, pp. 167-187
-
-
Nordfors, D.1
Martensson, N.2
Ågren, H.3
-
21
-
-
0345877569
-
-
(a) Carroll, T. X.; Smith, S. R.; Thomas, T. D. J. Am. Chem. Soc. 1975, 97, 659-660.
-
(1975)
J. Am. Chem. Soc
, vol.97
, pp. 659-660
-
-
Carroll, T.X.1
Smith, S.R.2
Thomas, T.D.3
-
22
-
-
0000039856
-
-
(b) Mills, B. E.; Martin, R. L; Shirley, D. A. J. Am. Chem. Soc. 1976, 98, 2380-2385.
-
(1976)
J. Am. Chem. Soc
, vol.98
, pp. 2380-2385
-
-
Mills, B.E.1
Martin, R.L.2
Shirley, D.A.3
-
23
-
-
0000013535
-
-
(c) Ashe, A. J., III; Bahl, M. K.; Bomben, K. D.; Chan, W.-T.; Gimzewski, J. K.; Sitton, P. G.; Thomas, T. D. J. Am. Chem. Soc. 1979, 101, 1764-1767.
-
(1979)
J. Am. Chem. Soc
, vol.101
, pp. 1764-1767
-
-
Ashe III, A.J.1
Bahl, M.K.2
Bomben, K.D.3
Chan, W.-T.4
Gimzewski, J.K.5
Sitton, P.G.6
Thomas, T.D.7
-
25
-
-
33644687635
-
-
Carroll, T. X.; Thomas, T. D.; Bergersen, H.; Børve, K. J.; Sæthre, L. J. J. Org. Chem. 2006, 71, 1961-1968.
-
(2006)
J. Org. Chem
, vol.71
, pp. 1961-1968
-
-
Carroll, T.X.1
Thomas, T.D.2
Bergersen, H.3
Børve, K.J.4
Sæthre, L.J.5
-
29
-
-
84985475035
-
-
(a) Eckert-Maksić, M.; Klessinger, M.; Maksić, Z. B. J. Phys. Org. Chem. 1995, 8, 435-441.
-
(1995)
J. Phys. Org. Chem
, vol.8
, pp. 435-441
-
-
Eckert-Maksić, M.1
Klessinger, M.2
Maksić, Z.B.3
-
30
-
-
0031549626
-
-
(b) Maksić, Z. B.; Kovačević, B.; Kovaček, D. J. Phys. Chem. A 1997, 101, 7446-7453.
-
(1997)
J. Phys. Chem. A
, vol.101
, pp. 7446-7453
-
-
Maksić, Z.B.1
Kovačević, B.2
Kovaček, D.3
-
32
-
-
0000050286
-
-
http://www.maxlab.lu.se/. Bässler, M.; Forsell, J.-O.; Björneholm, O.; Feifel, R.; Jurvansuu, M.; Aksela, S.; Sundin, S.; Sorensen, S. L.; Nyholm, R.; Ausmees, A.; Svensson, S. J. Electron Spectrosc. Relat. Phenom. 1999, 101-103, 953-957.
-
http://www.maxlab.lu.se/. Bässler, M.; Forsell, J.-O.; Björneholm, O.; Feifel, R.; Jurvansuu, M.; Aksela, S.; Sundin, S.; Sorensen, S. L.; Nyholm, R.; Ausmees, A.; Svensson, S. J. Electron Spectrosc. Relat. Phenom. 1999, 101-103, 953-957.
-
-
-
-
33
-
-
0002106295
-
-
http://www-als.lbl.gov/als/techspecs/bl10.0.1.html. Berrah, N.; Langer, B.; Wills, A. A.; Kukk, E.; Bozek, J. D.; Farhat, A.; Gorczyca, T. W. J. Electron Spectrosc. Relat. Phenom. 1999, 101-103, 1-11.
-
http://www-als.lbl.gov/als/techspecs/bl10.0.1.html. Berrah, N.; Langer, B.; Wills, A. A.; Kukk, E.; Bozek, J. D.; Farhat, A.; Gorczyca, T. W. J. Electron Spectrosc. Relat. Phenom. 1999, 101-103, 1-11.
-
-
-
-
34
-
-
0347108471
-
-
Carroll, T. X.; Hahne, J.; Thomas, T. D.; Sæthre, L. J.; Berrah, N.; Bozek, J.; Kukk, E. Phys. Rev. A 2000, 61, 042503-1-7
-
Carroll, T. X.; Hahne, J.; Thomas, T. D.; Sæthre, L. J.; Berrah, N.; Bozek, J.; Kukk, E. Phys. Rev. A 2000, 61, 042503-1-7
-
-
-
-
35
-
-
0036132999
-
-
Myrseth, V.; Bozek, J. D.; Kukk, E.; Sæthre, L. J.; Thomas, T. D. J. Electron Spectrosc. Relat. Phenom. 2002, 122, 57-63.
-
(2002)
J. Electron Spectrosc. Relat. Phenom
, vol.122
, pp. 57-63
-
-
Myrseth, V.1
Bozek, J.D.2
Kukk, E.3
Sæthre, L.J.4
Thomas, T.D.5
-
36
-
-
34547138484
-
-
SPANCF, http://www.geocities.com/ekukk. Kukk, E.; Department of Physics, Materials Science, University of Turku, FIN-20014 Turku, Finland.
-
SPANCF, http://www.geocities.com/ekukk. Kukk, E.; Department of Physics, Materials Science, University of Turku, FIN-20014 Turku, Finland.
-
-
-
-
38
-
-
3042781176
-
-
Myrseth, V.; Børve, K. I.; Wiesner, K.; Bässler, M.; Svensson, S.; Sæthre, L. J. Phys. Chem. Chem. Phys. 2002, 4, 5937-5943.
-
(2002)
Phys. Chem. Chem. Phys
, vol.4
, pp. 5937-5943
-
-
Myrseth, V.1
Børve, K.I.2
Wiesner, K.3
Bässler, M.4
Svensson, S.5
Sæthre, L.J.6
-
39
-
-
0035899123
-
-
Karlsen, T.; Sæthre, L. J.; Børve, K. J.; Berrah, N.; Kukk, E.; Bozek, J. D.; Carroll, T. X.; Thomas, T. D. J. Phys. Chem. 2001, 105, 7700-7706.
-
(2001)
J. Phys. Chem
, vol.105
, pp. 7700-7706
-
-
Karlsen, T.1
Sæthre, L.J.2
Børve, K.J.3
Berrah, N.4
Kukk, E.5
Bozek, J.D.6
Carroll, T.X.7
Thomas, T.D.8
-
40
-
-
17744397505
-
-
Børve, K. J.; Sæthre, L. J.; Thomas, T. D.; Carroll, T. X.; Berrah, N.; Bozek, J. D.; Kukk, E. Phys. Rev. A 2000, 63, 012506.
-
(2000)
Phys. Rev. A
, vol.63
, pp. 012506
-
-
Børve, K.J.1
Sæthre, L.J.2
Thomas, T.D.3
Carroll, T.X.4
Berrah, N.5
Bozek, J.D.6
Kukk, E.7
-
41
-
-
34547112600
-
-
The major contribution to the pre-exponential factor is probably from changes in the symmetry number upon protonation. In the reaction for replacement of tritium by a proton in C6H5T, the change in symmetry number between the starting molecule and the transition state is from 2 to 1, leading to a factor of 2 effect on the rate. For the other molecules, either there is a similar change or no change in the symmetry number. A factor of 2 in the rate corresponds to 0.02 eV in energy, which is small compared with the 0.55 eV range in activation energies observed for these reactions
-
5T, the change in symmetry number between the starting molecule and the transition state is from 2 to 1, leading to a factor of 2 effect on the rate. For the other molecules, either there is a similar change or no change in the symmetry number. A factor of 2 in the rate corresponds to 0.02 eV in energy, which is small compared with the 0.55 eV range in activation energies observed for these reactions.
-
-
-
-
42
-
-
0000689953
-
-
McKelvey, J. M.; Alexandratos, S.; Streitwieser, A., Jr.; Abboud, J. L. M.; Hehre, W. J. J. Am. Chem. Soc. 1976, 98, 244-246.
-
(1976)
J. Am. Chem. Soc
, vol.98
, pp. 244-246
-
-
McKelvey, J.M.1
Alexandratos, S.2
Streitwieser Jr., A.3
Abboud, J.L.M.4
Hehre, W.J.5
-
43
-
-
34547127693
-
-
3. The proton affinities have been calculated by the method described in ref 17. The calculated values are given in the Supporting Information.
-
3. The proton affinities have been calculated by the method described in ref 17. The calculated values are given in the Supporting Information.
-
-
-
-
44
-
-
49549135920
-
-
Lindberg, B.; Svensson, S.; Malmquist, P. Å.; Basilier, E.; Gelius, U.; Siegbahn, K. Chem. Phys. Lett. 1976, 40, 175-179.
-
(1976)
Chem. Phys. Lett
, vol.40
, pp. 175-179
-
-
Lindberg, B.1
Svensson, S.2
Malmquist, P.A.3
Basilier, E.4
Gelius, U.5
Siegbahn, K.6
|