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Croatica Chemica Acta

Volumn 74, Issue 3, 2001, Pages 575-591

Heavy atom isotope effects in elimination reactions. An ab initio study

(1) Saunders Jr , William H a

a UNIVERSITY OF ROCHESTER (United States)

Author keywords

BEBOVIB method; Bond order; Charge; E2; KIE; Transition structure

Indexed keywords

EID: 0041689879 PISSN: 00111643 EISSN: None Source Type: Journal
DOI: None Document Type: Article

Times cited : (8)

References (34)

1
- 0042508712
- W. H. Saunders Jr. and S. Ašperger, J. Am. Chem. Soc. 79 (1957) 1612-1615.
- (1957) J. Am. Chem. Soc. , vol.79 , pp. 1612-1615
- Saunders W.H., Jr.¹ Ašperger, S.²

2
- 85022369151
- W. H. Saunders Jr., A. F. Cockerill, S. Ašperger, L. Klasinc, and D. Stefanović, J. Am. Chem. Soc. 88 (1966) 848.
- (1966) J. Am. Chem. Soc. , vol.88 , pp. 848
- Saunders W.H., Jr.¹ Cockerill, A.F.² Ašperger, S.³ Klasinc, L.⁴ Stefanović, D.⁵

3
- 0003409866
- A. F. Cockerill and W. H. Saunders Jr., J. Am. Chem. Soc. 89 (1967) 4985-4987.
- (1967) J. Am. Chem. Soc. , vol.89 , pp. 4985-4987
- Cockerill, A.F.¹ Saunders W.H., Jr.²

4
- 0042008003
- S.-L. Wu, R. T. Hargreaves, and W. H. Saunders Jr., J. Org. Chem. 50 (1985) 2392-2394.
- (1985) J. Org. Chem. , vol.50 , pp. 2392-2394
- Wu, S.-L.¹ Hargreaves, R.T.² Saunders W.H., Jr.³

5
- 0008005528
- K. C. Brown, F. J. Romano, and W. H. Saunders Jr., J. Org. Chem. 46 (1981) 4242-4246.
- (1981) J. Org. Chem. , vol.46 , pp. 4242-4246
- Brown, K.C.¹ Romano, F.J.² Saunders W.H., Jr.³

6
- 0042008004
- J. Banger, A. Jaffe, A.-C. Lin, and W. H. Saunders Jr., J. Am. Chem. Soc. 97 (1975) 7177-7178.
- (1975) J. Am. Chem. Soc. , vol.97 , pp. 7177-7178
- Banger, J.¹ Jaffe, A.² Lin, A.-C.³ Saunders W.H., Jr.⁴

7
- 0001442575
- D. J. Miller, Rm. Subramanian, and W. H. Saunders Jr., J. Am. Chem. Soc. 103 (1981) 3519-3522.
- (1981) J. Am. Chem. Soc. , vol.103 , pp. 3519-3522
- Miller, D.J.¹ Subramanian, Rm.² Saunders W.H., Jr.³

8
- 0038335812
- M. Wolfsberg and M. J. Stern, Pure. Appl. Chem. 8 (1964) 225-242.
- (1964) Pure. Appl. Chem. , vol.8 , pp. 225-242
- Wolfsberg, M.¹ Stern, M.J.²

9
- 0000618319
- Chapter 4, E. Buncel and C. C. Lee (Eds.), Elsevier, Amsterdam
- L. B. Sims and D. E. Lewis, Chapter 4, in: E. Buncel and C. C. Lee (Eds.), Isotopes in Organic Chemistry, Vol. 6, Elsevier, Amsterdam, 1984, pp. 162-259.
- (1984) Isotopes in Organic Chemistry , vol.6 , pp. 162-259
- Sims, L.B.¹ Lewis, D.E.²

10
- 84944426606
- J. Bigeleisen and M. Goeppert-Mayer, J. Chem. Phys. 15 (1947) 261-267.
- (1947) J. Chem. Phys. , vol.15 , pp. 261-267
- Bigeleisen, J.¹ Goeppert-Mayer, M.²

11
- 0043009700
- W. H. Saunders Jr., Chem. Scr. (Sweden) 8 (1975) 27-36.
- (1975) Chem. Scr. (Sweden) 8 , pp. 27-36
- Saunders W.H., Jr.¹

12
- 1542485513
- W. H. Saunders Jr., Chem. Scr. (Sweden) 10 (1976) 82-89.
- (1976) Chem. Scr. (Sweden) , vol.10 , pp. 82-89
- Saunders W.H., Jr.¹

13
- 2642662943
- S. S. Glad and F. Jensen, J. Am. Chem. Soc. 116 (1994) 9302-9910.
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 9302-9910
- Glad, S.S.¹ Jensen, F.²

14
- 33748403390
- S. S. Glad and F. Jensen, J. Phys. Chem. 100 (1996) 16892-16898.
- (1996) J. Phys. Chem. , vol.100 , pp. 16892-16898
- Glad, S.S.¹ Jensen, F.²

15
- 0002668332
- S. S. Glad and F. Jensen, J. Org. Chem. 62 (1997) 253-260.
- (1997) J. Org. Chem. , vol.62 , pp. 253-260
- Glad, S.S.¹ Jensen, F.²

16
- 0344527830
- W. H. Saunders Jr., J. Org. Chem. 64 (1999) 861-865.
- (1999) J. Org. Chem. , vol.64 , pp. 861-865
- Saunders W.H., Jr.¹

17
- 0004133516
- Gaussian, Inc., Pittsburgh PA
- Gaussian 94, Revision C.3, M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez, J. A. Pople, Gaussian, Inc., Pittsburgh PA, 1995.
- (1995) Gaussian 94, Revision C.3
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³ Gill, P.M.W.⁴ Johnson, B.G.⁵ Robb, M.A.⁶ Cheeseman, J.R.⁷ Keith, T.⁸ Petersson, G.A.⁹ Montgomery, J.A.¹⁰ Raghavachari, K.¹¹ Al-Laham, M.A.¹² Zakrzewski, V.G.¹³ Ortiz, J.V.¹⁴ Foresman, J.B.¹⁵ Cioslowski, J.¹⁶ Stefanov, B.B.¹⁷ Nanayakkara, A.¹⁸ Challacombe, M.¹⁹ Peng, C.Y.²⁰ more..

18
- 0004133516
- Gaussian, Inc., Pittsburgh PA
- Gaussian 98, Revision A.6, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr., R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle, and J. A. Pople, Gaussian, Inc., Pittsburgh PA, 1998.
- (1998) Gaussian 98, Revision A.6
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³ Scuseria, G.E.⁴ Robb, M.A.⁵ Cheeseman, J.R.⁶ Zakrzewski, V.G.⁷ Montgomery J.A., Jr.⁸ Stratmann, R.E.⁹ Burant, J.C.¹⁰ Dapprich, S.¹¹ Millam, J.M.¹² Daniels, A.D.¹³ Kudin, K.N.¹⁴ Strain, M.C.¹⁵ Farkas, O.¹⁶ Tomasi, J.¹⁷ Barone, V.¹⁸ Cossi, M.¹⁹ Cammi, R.²⁰ more..

19
- 6944251055
- C. Møller and M. S. Plesset, Phys. Rev. 46 (1934) 618-622.
- (1934) Phys. Rev. , vol.46 , pp. 618-622
- Møller, C.¹ Plesset, M.S.²

20
- 0004214970
- M. J. Frisch and M. Head-Gordon, Chem. Phys. Lett. 166 (1990) 281-289.
- (1990) Chem. Phys. Lett. , vol.166 , pp. 281-289
- Frisch, M.J.¹ Head-Gordon, M.²

21
- 0002362917
- J. A. Pople, R. Seeger, and R. Krishnan, Int. J. Quantum Chem., Symp. 11 (1978) 149-163.
- (1978) Int. J. Quantum Chem., Symp. , vol.11 , pp. 149-163
- Pople, J.A.¹ Seeger, R.² Krishnan, R.³

22
- 84987093700
- R. Krishnan and J. A. Pople, Int. J. Quantum Chem. 14 (1978) 91-100.
- (1978) Int. J. Quantum Chem. , vol.14 , pp. 91-100
- Krishnan, R.¹ Pople, J.A.²

23
- 0000649832
- R. Krishnan, M. J. Frisch, and J. A. Pople, J. Chem. Phys. 72 (1980) 4244-4245.
- (1980) J. Chem. Phys. , vol.72 , pp. 4244-4245
- Krishnan, R.¹ Frisch, M.J.² Pople, J.A.³

24
- 84983920787
- J. A. Pople, H. B. Schlegel, R. Krishnan, D. J. Defrees, J. S. Binkley, M. J. Frisch, R. A. Whiteside, R. F. Hout, and W. J. Hehre, Int. J. Quantum Chem., Symp. 15 (1981) 269-278.
- (1981) Int. J. Quantum Chem., Symp. , vol.15 , pp. 269-278
- Pople, J.A.¹ Schlegel, H.B.² Krishnan, R.³ Defrees, D.J.⁴ Binkley, J.S.⁵ Frisch, M.J.⁶ Whiteside, R.A.⁷ Hout, R.F.⁸ Hehre, W.J.⁹

25
- 0022008091
- D. J. Defrees and A. D. McLean, J. Chem. Phys. 82 (1985) 333-341.
- (1985) J. Chem. Phys. , vol.82 , pp. 333-341
- Defrees, D.J.¹ McLean, A.D.²

26
- 0003604511
- Wiley, New York
- K. B. Wiberg, Physical Organic Chemistry, Wiley, New York, 1964, pp. 218-228.
- (1964) Physical Organic Chemistry , pp. 218-228
- Wiberg, K.B.¹

27
- 84873055189
- Wiley-Interscience, New York
- W. J. Hehre, L. Radom. P. v. R. Schleyer, and J. A. Pople, Ab Initio Molecular Orbital Theory, Wiley-Interscience, New York, 1986, pp. 228-251.
- (1986) Ab Initio Molecular Orbital Theory , pp. 228-251
- Hehre, W.J.¹ Radom, L.² Schleyer, P.V.R.³ Pople, J.A.⁴

28
- 0042008001
- personal communication, further adapted for the Macintosh by W. H. Saunders Jr. Available from WHS on request.
- Iecalc, K. Korzekwa, J. Urbauer, D. Kiick, and J. Jones (personal communication), further adapted for the Macintosh by W. H. Saunders Jr. Available from WHS on request.
- Iecalc
- Korzekwa, K.¹ Urbauer, J.² Kiick, D.³ Jones, J.⁴

29
- 0011083499
- A. E. Reed, L. A. Curtiss, and F. Weinhold, Chem. Rev. 88 (1988) 899-926.
- (1988) Chem. Rev. , vol.88 , pp. 899-926
- Reed, A.E.¹ Curtiss, L.A.² Weinhold, F.³

30
- 0006690576
- E. D. Glendenning, A. E. Reed, E. Carpenter, and F. Weinhold, NBO Version 3.1 in Gaussian 98.
- NBO Version 3.1 in Gaussian 98
- Glendenning, E.D.¹ Reed, A.E.² Carpenter, E.³ Weinhold, F.⁴

31
- 33947440291
- L. Pauling, J. Am. Chem. Soc. 69 (1947) 542-553.
- (1947) J. Am. Chem. Soc. , vol.69 , pp. 542-553
- Pauling, L.¹

32
- 0004517544
- G. W. Burton, L. B. Sims, J. C. Wilson, and A. Fry, J. Am. Chem. Soc. 99 (1977) 3371-3379.
- (1977) J. Am. Chem. Soc. , vol.99 , pp. 3371-3379
- Burton, G.W.¹ Sims, L.B.² Wilson, J.C.³ Fry, A.⁴

33
- 0000729216
- K. N. Houk, S. M. Gustafson, and K. A. Black, J. Am. Chem. Soc. 114 (1977) 8565-8572.
- (1977) J. Am. Chem. Soc. , vol.114 , pp. 8565-8572
- Houk, K.N.¹ Gustafson, S.M.² Black, K.A.³

34
- 0342393079
- W. H. Saunders Jr. J. Org. Chem. 65 (2000) 681-684.
- (2000) J. Org. Chem. , vol.65 , pp. 681-684
- Saunders W.H., Jr.¹

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