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Journal of Physical Chemistry A

Volumn 101, Issue 46, 1997, Pages 8714-8719

Structure, bonding, and heats of formation of silatitanacyclobutanes

(2) Glezakou, Vassiliki Aiexandra a Gordon, Mark S a

a IOWA STATE UNIVERSITY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; ELECTRONIC STRUCTURE; MATHEMATICAL MODELS; PARAFFINS; SILICON COMPOUNDS; THERMODYNAMIC PROPERTIES;

BADER DENSITY ANALYSIS; HEAT OF FORMATION; HOMODESMIC REACTIONS; SILATITANACYCLOBUTANES;

ORGANOMETALLICS;

EID: 0031268522 PISSN: 10895639 EISSN: None Source Type: Journal
DOI: 10.1021/jp971653d Document Type: Article

Times cited : (8)

References (66)

1
- 0009071639
- and references therein
- Selective references: (a) Puddephatt, R. J. Comments Inorg. Chem. 1982, 2, 69, and references therein. (b) Grubbs, R. H. In Comprehensive Organometallic Chemistry; Wilkinson, G., Stone, F. G. A., Abel, E. W., Eds.; Pergamon Press: Oxford, U.K., 1982; Vol. 8, Chapter 54, p 499, and references therein. (c) Chappel, S. D.; Cole-Hamilton, D. J. Polyhedron Report Number 2: The Preparation and Properties of Metallacyclic Compounds of the Transition Elements; Pergamon Press: Oxford, U.K., 1982; Vol. 1, p 739, and references therein. (d) Puddephat, R. J. Coord. Chem. Rev. 1980, 33, 149, and references therein.
- (1982) Comments Inorg. Chem. , vol.2 , pp. 69
- Puddephatt, R.J.¹

2
- 84942788440
- Wilkinson, G., Stone, F. G. A., Abel, E. W., Eds.; Pergamon Press: Oxford, U.K., Chapter 54, and references therein
- Selective references: (a) Puddephatt, R. J. Comments Inorg. Chem. 1982, 2, 69, and references therein. (b) Grubbs, R. H. In Comprehensive Organometallic Chemistry; Wilkinson, G., Stone, F. G. A., Abel, E. W., Eds.; Pergamon Press: Oxford, U.K., 1982; Vol. 8, Chapter 54, p 499, and references therein. (c) Chappel, S. D.; Cole-Hamilton, D. J. Polyhedron Report Number 2: The Preparation and Properties of Metallacyclic Compounds of the Transition Elements; Pergamon Press: Oxford, U.K., 1982; Vol. 1, p 739, and references therein. (d) Puddephat, R. J. Coord. Chem. Rev. 1980, 33, 149, and references therein.
- (1982) Comprehensive Organometallic Chemistry , vol.8 , pp. 499
- Grubbs, R.H.¹

3
- 4143125399
- Pergamon Press: Oxford, U.K., and references therein
- Selective references: (a) Puddephatt, R. J. Comments Inorg. Chem. 1982, 2, 69, and references therein. (b) Grubbs, R. H. In Comprehensive Organometallic Chemistry; Wilkinson, G., Stone, F. G. A., Abel, E. W., Eds.; Pergamon Press: Oxford, U.K., 1982; Vol. 8, Chapter 54, p 499, and references therein. (c) Chappel, S. D.; Cole-Hamilton, D. J. Polyhedron Report Number 2: The Preparation and Properties of Metallacyclic Compounds of the Transition Elements; Pergamon Press: Oxford, U.K., 1982; Vol. 1, p 739, and references therein. (d) Puddephat, R. J. Coord. Chem. Rev. 1980, 33, 149, and references therein.
- (1982) Polyhedron Report Number 2: The Preparation and Properties of Metallacyclic Compounds of the Transition Elements , vol.1 , pp. 739
- Chappel, S.D.¹ Cole-Hamilton, D.J.²

4
- 0002444891
- and references therein
- Selective references: (a) Puddephatt, R. J. Comments Inorg. Chem. 1982, 2, 69, and references therein. (b) Grubbs, R. H. In Comprehensive Organometallic Chemistry; Wilkinson, G., Stone, F. G. A., Abel, E. W., Eds.; Pergamon Press: Oxford, U.K., 1982; Vol. 8, Chapter 54, p 499, and references therein. (c) Chappel, S. D.; Cole-Hamilton, D. J. Polyhedron Report Number 2: The Preparation and Properties of Metallacyclic Compounds of the Transition Elements; Pergamon Press: Oxford, U.K., 1982; Vol. 1, p 739, and references therein. (d) Puddephat, R. J. Coord. Chem. Rev. 1980, 33, 149, and references therein.
- (1980) Coord. Chem. Rev. , vol.33 , pp. 149
- Puddephat, R.J.¹

5
- 0000091226
- (a) Stille, J. R.; Grubbs, R. H. J. Am. Chem. Soc. 1986, 108, 855.
- (1986) J. Am. Chem. Soc. , vol.108 , pp. 855
- Stille, J.R.¹ Grubbs, R.H.²

6
- 0020856031
- (b) For a review: Brown-Wensley, K. A.; Buchwald, S. L.; Cannizzo, L. F.; Clawson, L. E.; Ho, S.; Meinhart, J. D.; Stille, J. R.; Staruss, D.; Grubbs, R. H. Pure Appl. Chem. 1983, 55, 1733.
- (1983) Pure Appl. Chem. , vol.55 , pp. 1733
- Brown-Wensley, K.A.¹ Buchwald, S.L.² Cannizzo, L.F.³ Clawson, L.E.⁴ Ho, S.⁵ Meinhart, J.D.⁶ Stille, J.R.⁷ Staruss, D.⁸ Grubbs, R.H.⁹

7
- 0000712923
- (a) Clawson, L. E.; Buchenwald, S. L.; Grubbs, R. H. Tetrahedron Lett. 1984, 50, 5733.
- (1984) Tetrahedron Lett. , vol.50 , pp. 5733
- Clawson, L.E.¹ Buchenwald, S.L.² Grubbs, R.H.³

8
- 0000031608
- (b) Stille, J. R.; Grubbs, R. H. J. Am. Chem. Soc. 1983, 105, 1664.
- (1983) J. Am. Chem. Soc. , vol.105 , pp. 1664
- Stille, J.R.¹ Grubbs, R.H.²

9
- 4143070120
- (c) Chou, T.; Huang, S. Bull. Inst. Cehm. Acad. Sin. 1984, 31, 44.
- (1984) Bull. Inst. Cehm. Acad. Sin. , vol.31 , pp. 44
- Chou, T.¹ Huang, S.²

10
- 0000785942
- Buchwald, S. L.; Anslyn, E. V.; Grubbs, R. H. J. Am. Chem. Soc. 1985, 107, 1766.
- (1985) J. Am. Chem. Soc. , vol.107 , pp. 1766
- Buchwald, S.L.¹ Anslyn, E.V.² Grubbs, R.H.³

11
- 0020495091
- (a) Straus, D. A.; Grubbs, R. H. J. Mol. Catal. 1985, 28, 9.
- (1985) J. Mol. Catal. , vol.28 , pp. 9
- Straus, D.A.¹ Grubbs, R.H.²

12
- 33845552830
- (b) Lee, J. B.; Ott, K. C.; Grubbs, R. H. J. Am. Chem. Soc. 1982, 104, 7491.
- (1982) J. Am. Chem. Soc. , vol.104 , pp. 7491
- Lee, J.B.¹ Ott, K.C.² Grubbs, R.H.³

13
- 33845375542
- (a) Gilliom, L. R.; Grubbs, R. H. J. Am. Chem. Soc. 1986, 108, 733.
- (1986) J. Am. Chem. Soc. , vol.108 , pp. 733
- Gilliom, L.R.¹ Grubbs, R.H.²

14
- 84943053512
- (b) For a review on ring-opening polymerization: Calderon, J. J. Macromol. Sci. Rev. 1972, C7 (1), 105.
- (1972) Macromol. Sci. Rev. , vol.C7 , Issue.1 , pp. 105
- Calderon, J.J.¹

15
- 0020495634
- (a) Mackenzie, P. B.; Ott, K. C.; Grubbs, R. H. Pure Appl. Chem. 1984, 56, 59.
- (1984) Pure Appl. Chem. , vol.56 , pp. 59
- Mackenzie, P.B.¹ Ott, K.C.² Grubbs, R.H.³

16
- 0001231810
- (b) Park, J. W.; Mackenzie, P. B.; Schaefer, W. P.; Grubbs, R. H. J. Am. Chem. Soc. 1986, 108, 6402.
- (1986) J. Am. Chem. Soc. , vol.108 , pp. 6402
- Park, J.W.¹ Mackenzie, P.B.² Schaefer, W.P.³ Grubbs, R.H.⁴

17
- 0000743820
- and references therein
- Anslyn, E. V.; Grubbs, R. H. J. Am. Chem. Soc. 1987, 109, 4880, and references therein.
- (1987) J. Am. Chem. Soc. , vol.109 , pp. 4880
- Anslyn, E.V.¹ Grubbs, R.H.²

18
- 1842313981
- and ref 6 therein
- Ciliberto, E.; Di Bella, S.; Gulino, A.; Fragalá, I.; Petersen, J. L.; Marks, T. J. Organometallics 1992, 11, 1727, and ref 6 therein.
- (1992) Organometallics , vol.11 , pp. 1727
- Ciliberto, E.¹ Di Bella, S.² Gulino, A.³ Fragalá, I.⁴ Petersen, J.L.⁵ Marks, T.J.⁶

19
- 0001503846
- (a) Tikkanen, W.; Ziller, J. W. Organometallics 1991, 10, 2266.
- (1991) Organometallics , vol.10 , pp. 2266
- Tikkanen, W.¹ Ziller, J.W.²

20
- 0000254034
- (b) Amorose, D. M.; Petersen, J. L. Organometallics 1991, 10, 2191.
- (1991) Organometallics , vol.10 , pp. 2191
- Amorose, D.M.¹ Petersen, J.L.²

21
- 1042268968
- (c) Tikkanen, W.; Egan, J. W., Jr.; Petersen, J. L. Organometallics 1984, 3, 1646.
- (1984) Organometallics , vol.3 , pp. 1646
- Tikkanen, W.¹ Egan Jr., J.W.² Petersen, J.L.³

22
- 0001997141
- (d) Tikkanen, W.; Liu, J. Z.; Egan, J. W., Jr.; Petersen, J. L. Organometallics 1984, 3, 825.
- (1984) Organometallics , vol.3 , pp. 825
- Tikkanen, W.¹ Liu, J.Z.² Egan Jr., J.W.³ Petersen, J.L.⁴

23
- 0011562075
- George, P.; Trachtman, M.; Bock, C. W.; Brett, A. M. Tetrahedron 1976, 32, 317.
- (1976) Tetrahedron , vol.32 , pp. 317
- George, P.¹ Trachtman, M.² Bock, C.W.³ Brett, A.M.⁴

24
- 0041401966
- (a) Curtiss, L. A.; Raghavachari, K.; Trucks, G. W.; Pople, J. A. J. Chem. Phys. 1991, 94, 7221.
- (1991) J. Chem. Phys. , vol.94 , pp. 7221
- Curtiss, L.A.¹ Raghavachari, K.² Trucks, G.W.³ Pople, J.A.⁴

25
- 36549094943
- (b) Pople, J. A.; Head-Gordon, M.; Fox, D. J.; Raghavachari, K.; Curtiss, L. A. J. Chem. Phys. 1989, 90, 5622.
- (1989) J. Chem. Phys. , vol.90 , pp. 5622
- Pople, J.A.¹ Head-Gordon, M.² Fox, D.J.³ Raghavachari, K.⁴ Curtiss, L.A.⁵

26
- 84893169025
- Schmidt, M. W.; Baldridge, K. K.; Boatz, J. A.; Elbert, S. T.; Gordon, M. S.; Jensen, J. H.; Koseki, S.; Matsunaga, N.; Nguyen, K. A.; Su, S. J.; Windus, T. L.; Dupuis, M.; Montogomery, J. A. J. Comput. Chem. 1993, 14, 1347.
- (1993) J. Comput. Chem. , vol.14 , pp. 1347
- Schmidt, M.W.¹ Baldridge, K.K.² Boatz, J.A.³ Elbert, S.T.⁴ Gordon, M.S.⁵ Jensen, J.H.⁶ Koseki, S.⁷ Matsunaga, N.⁸ Nguyen, K.A.⁹ Su, S.J.¹⁰ Windus, T.L.¹¹ Dupuis, M.¹² Montogomery, J.A.¹³

27
- 3042691933
- Foster, J. M.; Boys, S. F. Rev. Mod. Phys. 1963, 32, 300.
- (1963) Rev. Mod. Phys. , vol.32 , pp. 300
- Foster, J.M.¹ Boys, S.F.²

28
- 35348906888
- (a) TZV for Li-Ne: Dunning, T. H. J. Chem. Phys. 1971, 55, 716.
- (1971) J. Chem. Phys. , vol.55 , pp. 716
- Dunning, T.H.¹

29
- 0141509423
- (b) TZV for Na-Ar: McLean, A. D.; Chandler, G. S. J. Chem. Phys. 1980, 72, 5639.
- (1980) J. Chem. Phys. , vol.72 , pp. 5639
- McLean, A.D.¹ Chandler, G.S.²

30
- 84871576047
- p = 0.0611) to acount for a 4p.
- (1970) J. Chem. Phys. , vol.52 , pp. 1033
- Wachter, A.J.H.¹

31
- 0001249985
- p = 0.0611) to acount for a 4p.
- (1981) J. Phys. Chem. , vol.85 , pp. 2607
- Rappé, A.K.¹ Smedley, T.A.² Goddard III, W.A.³

32
- 85033160471
- note
- d = 0.388, respectively.

33
- 3743091175
- Smith, D. W., Ed.; Wiley: New York
- For a complete review on the even-tempered expansion of atomic basis sets, see the series of papers: (a) Ruedenberg, K.; Raffenetti, R. C.; Bardo, R. D. In Proceedings of the 1972 Boulder Seminar Research Conference on Theoretical Chemistry; Smith, D. W., Ed.; Wiley: New York, 1973; p 164. (b) Raffenetti, R. C. J. Chem. Phys. 1973, 59, 5936. (c) Bardo, R. D.; Ruedenberg, K. J. Chem. Phys. 1973, 59, 5956. (d) Bardo, R. D.; Ruedenberg, K. J. Chem. Phys. 1973, 59, 5966. (e) Raffenetti, R. C.; Ruedenberg, K. J. Chem. Phys. 1973, 59, 5978. (f) Bardo, R. D.; Ruedenberg, K. J. Chem. Phys. 1974, 60, 918. (g) Bardo, R. D.; Ruedenbrg, K. J. Chem. Phys. 1974, 60, 932. (h) Feller, D. F.; Ruedenberg, K. Theor. Chim. Acta 1979, 52, 231.
- (1973) Proceedings of the 1972 Boulder Seminar Research Conference on Theoretical Chemistry , pp. 164
- Ruedenberg, K.¹ Raffenetti, R.C.² Bardo, R.D.³

34
- 36849100745
- For a complete review on the even-tempered expansion of atomic basis sets, see the series of papers: (a) Ruedenberg, K.; Raffenetti, R. C.; Bardo, R. D. In Proceedings of the 1972 Boulder Seminar Research Conference on Theoretical Chemistry; Smith, D. W., Ed.; Wiley: New York, 1973; p 164. (b) Raffenetti, R. C. J. Chem. Phys. 1973, 59, 5936. (c) Bardo, R. D.; Ruedenberg, K. J. Chem. Phys. 1973, 59, 5956. (d) Bardo, R. D.; Ruedenberg, K. J. Chem. Phys. 1973, 59, 5966. (e) Raffenetti, R. C.; Ruedenberg, K. J. Chem. Phys. 1973, 59, 5978. (f) Bardo, R. D.; Ruedenberg, K. J. Chem. Phys. 1974, 60, 918. (g) Bardo, R. D.; Ruedenbrg, K. J. Chem. Phys. 1974, 60, 932. (h) Feller, D. F.; Ruedenberg, K. Theor. Chim. Acta 1979, 52, 231.
- (1973) J. Chem. Phys. , vol.59 , pp. 5936
- Raffenetti, R.C.¹

35
- 0000762865
- For a complete review on the even-tempered expansion of atomic basis sets, see the series of papers: (a) Ruedenberg, K.; Raffenetti, R. C.; Bardo, R. D. In Proceedings of the 1972 Boulder Seminar Research Conference on Theoretical Chemistry; Smith, D. W., Ed.; Wiley: New York, 1973; p 164. (b) Raffenetti, R. C. J. Chem. Phys. 1973, 59, 5936. (c) Bardo, R. D.; Ruedenberg, K. J. Chem. Phys. 1973, 59, 5956. (d) Bardo, R. D.; Ruedenberg, K. J. Chem. Phys. 1973, 59, 5966. (e) Raffenetti, R. C.; Ruedenberg, K. J. Chem. Phys. 1973, 59, 5978. (f) Bardo, R. D.; Ruedenberg, K. J. Chem. Phys. 1974, 60, 918. (g) Bardo, R. D.; Ruedenbrg, K. J. Chem. Phys. 1974, 60, 932. (h) Feller, D. F.; Ruedenberg, K. Theor. Chim. Acta 1979, 52, 231.
- (1973) J. Chem. Phys. , vol.59 , pp. 5956
- Bardo, R.D.¹ Ruedenberg, K.²

36
- 0001485635
- For a complete review on the even-tempered expansion of atomic basis sets, see the series of papers: (a) Ruedenberg, K.; Raffenetti, R. C.; Bardo, R. D. In Proceedings of the 1972 Boulder Seminar Research Conference on Theoretical Chemistry; Smith, D. W., Ed.; Wiley: New York, 1973; p 164. (b) Raffenetti, R. C. J. Chem. Phys. 1973, 59, 5936. (c) Bardo, R. D.; Ruedenberg, K. J. Chem. Phys. 1973, 59, 5956. (d) Bardo, R. D.; Ruedenberg, K. J. Chem. Phys. 1973, 59, 5966. (e) Raffenetti, R. C.; Ruedenberg, K. J. Chem. Phys. 1973, 59, 5978. (f) Bardo, R. D.; Ruedenberg, K. J. Chem. Phys. 1974, 60, 918. (g) Bardo, R. D.; Ruedenbrg, K. J. Chem. Phys. 1974, 60, 932. (h) Feller, D. F.; Ruedenberg, K. Theor. Chim. Acta 1979, 52, 231.
- (1973) J. Chem. Phys. , vol.59 , pp. 5966
- Bardo, R.D.¹ Ruedenberg, K.²

37
- 36849100422
- For a complete review on the even-tempered expansion of atomic basis sets, see the series of papers: (a) Ruedenberg, K.; Raffenetti, R. C.; Bardo, R. D. In Proceedings of the 1972 Boulder Seminar Research Conference on Theoretical Chemistry; Smith, D. W., Ed.; Wiley: New York, 1973; p 164. (b) Raffenetti, R. C. J. Chem. Phys. 1973, 59, 5936. (c) Bardo, R. D.; Ruedenberg, K. J. Chem. Phys. 1973, 59, 5956. (d) Bardo, R. D.; Ruedenberg, K. J. Chem. Phys. 1973, 59, 5966. (e) Raffenetti, R. C.; Ruedenberg, K. J. Chem. Phys. 1973, 59, 5978. (f) Bardo, R. D.; Ruedenberg, K. J. Chem. Phys. 1974, 60, 918. (g) Bardo, R. D.; Ruedenbrg, K. J. Chem. Phys. 1974, 60, 932. (h) Feller, D. F.; Ruedenberg, K. Theor. Chim. Acta 1979, 52, 231.
- (1973) J. Chem. Phys. , vol.59 , pp. 5978
- Raffenetti, R.C.¹ Ruedenberg, K.²

38
- 0000051845
- For a complete review on the even-tempered expansion of atomic basis sets, see the series of papers: (a) Ruedenberg, K.; Raffenetti, R. C.; Bardo, R. D. In Proceedings of the 1972 Boulder Seminar Research Conference on Theoretical Chemistry; Smith, D. W., Ed.; Wiley: New York, 1973; p 164. (b) Raffenetti, R. C. J. Chem. Phys. 1973, 59, 5936. (c) Bardo, R. D.; Ruedenberg, K. J. Chem. Phys. 1973, 59, 5956. (d) Bardo, R. D.; Ruedenberg, K. J. Chem. Phys. 1973, 59, 5966. (e) Raffenetti, R. C.; Ruedenberg, K. J. Chem. Phys. 1973, 59, 5978. (f) Bardo, R. D.; Ruedenberg, K. J. Chem. Phys. 1974, 60, 918. (g) Bardo, R. D.; Ruedenbrg, K. J. Chem. Phys. 1974, 60, 932. (h) Feller, D. F.; Ruedenberg, K. Theor. Chim. Acta 1979, 52, 231.
- (1974) J. Chem. Phys. , vol.60 , pp. 918
- Bardo, R.D.¹ Ruedenberg, K.²

39
- 0013021765
- For a complete review on the even-tempered expansion of atomic basis sets, see the series of papers: (a) Ruedenberg, K.; Raffenetti, R. C.; Bardo, R. D. In Proceedings of the 1972 Boulder Seminar Research Conference on Theoretical Chemistry; Smith, D. W., Ed.; Wiley: New York, 1973; p 164. (b) Raffenetti, R. C. J. Chem. Phys. 1973, 59, 5936. (c) Bardo, R. D.; Ruedenberg, K. J. Chem. Phys. 1973, 59, 5956. (d) Bardo, R. D.; Ruedenberg, K. J. Chem. Phys. 1973, 59, 5966. (e) Raffenetti, R. C.; Ruedenberg, K. J. Chem. Phys. 1973, 59, 5978. (f) Bardo, R. D.; Ruedenberg, K. J. Chem. Phys. 1974, 60, 918. (g) Bardo, R. D.; Ruedenbrg, K. J. Chem. Phys. 1974, 60, 932. (h) Feller, D. F.; Ruedenberg, K. Theor. Chim. Acta 1979, 52, 231.
- (1974) J. Chem. Phys. , vol.60 , pp. 932
- Bardo, R.D.¹ Ruedenbrg, K.²

40
- 3943088128
- For a complete review on the even-tempered expansion of atomic basis sets, see the series of papers: (a) Ruedenberg, K.; Raffenetti, R. C.; Bardo, R. D. In Proceedings of the 1972 Boulder Seminar Research Conference on Theoretical Chemistry; Smith, D. W., Ed.; Wiley: New York, 1973; p 164. (b) Raffenetti, R. C. J. Chem. Phys. 1973, 59, 5936. (c) Bardo, R. D.; Ruedenberg, K. J. Chem. Phys. 1973, 59, 5956. (d) Bardo, R. D.; Ruedenberg, K. J. Chem. Phys. 1973, 59, 5966. (e) Raffenetti, R. C.; Ruedenberg, K. J. Chem. Phys. 1973, 59, 5978. (f) Bardo, R. D.; Ruedenberg, K. J. Chem. Phys. 1974, 60, 918. (g) Bardo, R. D.; Ruedenbrg, K. J. Chem. Phys. 1974, 60, 932. (h) Feller, D. F.; Ruedenberg, K. Theor. Chim. Acta 1979, 52, 231.
- (1979) Theor. Chim. Acta , vol.52 , pp. 231
- Feller, D.F.¹ Ruedenberg, K.²

41
- 36849104603
- (a) Raffenetti, R. C. J. Chem. Phys. 1973, 58, 4452.
- (1973) J. Chem. Phys. , vol.58 , pp. 4452
- Raffenetti, R.C.¹

42
- 36549091139
- (b) Appropriate scaling scheme for substituting a single-polarization with double and triple-split: Frisch, M. J.; Pople, J. A.; Binkley, J. S. J. Chem. Phys. 1984, 80, 3265.
- (1984) J. Chem. Phys. , vol.80 , pp. 3265
- Frisch, M.J.¹ Pople, J.A.² Binkley, J.S.³

43
- 84884501597
- Gaussian Inc.: Pittsburgh, PA
- Frisch, M. J.; Trucks, G. W.; Head-Gordon, M.; Gill, P. M. W.; Foresman, J.B.; Johnson, B. J.; Schlegel, H. B.; Robb, M. A. ; Replogle, E. S.; Gomberts, R.; Andres, J. L; Raghavachari, K.; Binkley, J. S.; Gonzalez, C.; Martin, R. L.; Fox, D. J.; DeFrees, D. J.; Baker, J.; Stewart, J. P. P.; Pople, J. A. Gaussian 92, Revision A; Gaussian Inc.: Pittsburgh, PA, 1992.
- (1992) Gaussian 92, Revision A
- Frisch, M.J.¹ Trucks, G.W.² Head-Gordon, M.³ Gill, P.M.W.⁴ Foresman, J.B.⁵ Johnson, B.J.⁶ Schlegel, H.B.⁷ Robb, M.A.⁸ Replogle, E.S.⁹ Gomberts, R.¹⁰ Andres, J.L.¹¹ Raghavachari, K.¹² Binkley, J.S.¹³ Gonzalez, C.¹⁴ Martin, R.L.¹⁵ Fox, D.J.¹⁶ DeFrees, D.J.¹⁷ Baker, J.¹⁸ Stewart, J.P.P.¹⁹ Pople, J.A.²⁰ more..

44
- 0001006433
- (a) Frisch, M. J.; Head-Gordon, M.; Pople, J. A. Chem. Phys. Lett. 1990, 166, 275.
- (1990) Chem. Phys. Lett. , vol.166 , pp. 275
- Frisch, M.J.¹ Head-Gordon, M.² Pople, J.A.³

45
- 0004214970
- (b) Frisch, M. J.; Head-Gordon, M.; Pople, J. A. Chem. Phys. Lett. 1990, 166, 281.
- (1990) Chem. Phys. Lett. , vol.166 , pp. 281
- Frisch, M.J.¹ Head-Gordon, M.² Pople, J.A.³

46
- 0000244199
- (c) Pople, J. A.; Krishnan, R.; Schlegel, H. B.; Binkley, J. S. Int. J. Quantum Chem. Symp. 1979, 13, 325.
- (1979) Int. J. Quantum Chem. Symp. , vol.13 , pp. 325
- Pople, J.A.¹ Krishnan, R.² Schlegel, H.B.³ Binkley, J.S.⁴

47
- 0001652756
- (d) Handy, N. C.; Schaeffer, H. F., III. J. Chem. Phys. 1980, 72, 4654.
- (1980) J. Chem. Phys. , vol.72 , pp. 4654
- Handy, N.C.¹ Schaeffer III, H.F.²

48
- 0011558829
- (a) Head-Gordon, M.; Trucks, G. W.; Frisch, M. J. Chem. Phys. Lett. 1992, 196, 624.
- (1992) Chem. Phys. Lett. , vol.196 , pp. 624
- Head-Gordon, M.¹ Trucks, G.W.² Frisch, M.J.³

49
- 0012251505
- (b) Amos, R. D. Chem. Phys. Lett. 1984, 108, 185.
- (1984) Chem. Phys. Lett. , vol.108 , pp. 185
- Amos, R.D.¹

50
- 84987093700
- (a) Krishnan, R.; Pople, J. A. Int. J. Quantum Chem. Symp. 1978, 14, 91.
- (1978) Int. J. Quantum Chem. Symp. , vol.14 , pp. 91
- Krishnan, R.¹ Pople, J.A.²

51
- 0000649832
- (b) Krishnan, R.; Frisch, M. J.; Pople, J. A. J. Chem. Phys. 1980, 72, 4244.
- (1980) J. Chem. Phys. , vol.72 , pp. 4244
- Krishnan, R.¹ Frisch, M.J.² Pople, J.A.³

52
- 0011682081
- Pople, J. A.; Head-Gordon, M.; Raghavachari, K. J. Chem. Phys. 1987, 87, 5968.
- (1987) J. Chem. Phys. , vol.87 , pp. 5968
- Pople, J.A.¹ Head-Gordon, M.² Raghavachari, K.³

53
- 0003751953
- Malli, G. L., Ed.; NATO ASI Series; Plenum Press: New York
- Dupuis, M.; Chin, S.; Marquez, A. CHEM-Station and HONDO. In Relativistic and Electron Correlation Effects in Molecules and Clusters; Malli, G. L., Ed.; NATO ASI Series; Plenum Press: New York, 1993; p 315.
- (1993) Relativistic and Electron Correlation Effects in Molecules and Clusters , pp. 315
- Dupuis, M.¹ Chin, S.² Marquez, A.³

54
- 84873055189
- Wiley-Interscience: New York
- (a) Hehre, W. J.; Radom, L.; Schleyer, P.v. R.; Pople, J. A. Ab Initio Molecular Orbital Theory; Wiley-Interscience: New York, 1986.
- (1986) Ab Initio Molecular Orbital Theory
- Hehre, W.J.¹ Radom, L.² Schleyer, P.V.R.³ Pople, J.A.⁴

55
- 0000152949
- JAI Press Inc.: Greenwich, CT
- (b) Gordon, M. S.; Francisco, J. S.; Schlegel, H. B. Advances in Silicon Chemistry; JAI Press Inc.: Greenwich, CT, 1993; Vol. 2, p 137.
- (1993) Advances in Silicon Chemistry , vol.2 , pp. 137
- Gordon, M.S.¹ Francisco, J.S.² Schlegel, H.B.³

56
- 85033161368
- note
- Comparisons of the structural isomers at the MP2 level do not include the zero-point corrections. When included, the relative difference remains, except in the case of F5, F7 where it practically vanishes. In the latter case, the bridged isomer is considered in the subsequent computations for consistency with F4, F6.

57
- 0346831990
- Kudo, T.; Gordon, M. S. J. Phys. Chem. 1995, 99, 9340.
- (1995) J. Phys. Chem. , vol.99 , pp. 9340
- Kudo, T.¹ Gordon, M.S.²

58
- 85005470381
- Pople, J. A.; Scott, A. P.; Wong, M. W.; Radom, L. Isr. J. Chem. 1993, 33, 345. We used the scaling factor for MP2 fundamentals rather than the suggested one for MP2 zero-point energies (0.9646), since it is the harmonic frequencies that are calculated.
- (1993) Isr. J. Chem. , vol.33 , pp. 345
- Pople, J.A.¹ Scott, A.P.² Wong, M.W.³ Radom, L.⁴

59
- 4143134135
- JANAF Thermochemical Tables, 3rd ed.; 1985; Vol. 14, Suppl. 1.
- (1985) JANAF Thermochemical Tables, 3rd Ed. , vol.14 , Issue.1 SUPPL.

60
- 33845185280
- Gordon, M. S.; Boatz, J. A.; Walsch, R. J. Phys. Chem. 1989, 93, 1584.
- (1989) J. Phys. Chem. , vol.93 , pp. 1584
- Gordon, M.S.¹ Boatz, J.A.² Walsch, R.³

61
- 0000277010
- Wagman, D. D.; Evans, W. H.; Parker, V. B.; Schumm, R. H.; Halow, I.; Bailey, S. M.; Churney, K. L.; Nuttall, R. L. J. Phys. Chem. Ref. Data Suppl. 1982, 11, 2.
- (1982) J. Phys. Chem. Ref. Data Suppl. , vol.11 , pp. 2
- Wagman, D.D.¹ Evans, W.H.² Parker, V.B.³ Schumm, R.H.⁴ Halow, I.⁵ Bailey, S.M.⁶ Churney, K.L.⁷ Nuttall, R.L.⁸

62
- 0000491697
- (a) Bader, R. F. W.; Nguyen-Dang, T. T. Rep. Prog. Phys. 1981, 44, 893.
- (1981) Rep. Prog. Phys. , vol.44 , pp. 893
- Bader, R.F.W.¹ Nguyen-Dang, T.T.²

63
- 0002254462
- (b) Bader, R. F. W.; Nguyen-Dang, T. T. Adv. Quantum Chem. 1981, 14, 63.
- (1981) Adv. Quantum Chem. , vol.14 , pp. 63
- Bader, R.F.W.¹ Nguyen-Dang, T.T.²

64
- 0002928871
- (c) Bader, R. F. W. Acc. Chem. Res. 1985, 18, 9.
- (1985) Acc. Chem. Res. , vol.18 , pp. 9
- Bader, R.F.W.¹

65
- 0004157499
- International Series of Monographs on Chemistry, Clarenton Press: Oxford
- (d) Bader, R. F. W. In Atoms in Molecules: A Quantum Theory; International Series of Monographs on Chemistry, Vol. 22; Clarenton Press: Oxford, 1994.
- (1994) Atoms in Molecules: A Quantum Theory , vol.22
- Bader, R.F.W.¹

66
- 0345384270
- Doncaster, A. M.; Walsh, R. J. J. Chem. Soc., Faraday Trans. 2 1986, 82, 707.
- (1986) J. Chem. Soc., Faraday Trans. 2 , vol.82 , pp. 707
- Doncaster, A.M.¹ Walsh, R.J.²

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