-
1
-
-
2542547775
-
-
Hargittai, I., Hargittai, M., Eds.; VCH: Weinheim
-
(a) Mastryukov, V. S. Boron and Silicon Compounds. In Stereochemical Applications of Gas-Phase Electron Diffraction. Part B. Structural Information for Selected Classes of Compounds; Hargittai, I., Hargittai, M., Eds.; VCH: Weinheim, 1988; p 1.
-
(1988)
Stereochemical Applications of Gas-Phase Electron Diffraction. Part B. Structural Information for Selected Classes of Compounds
, pp. 1
-
-
Boron, M.V.S.1
Compounds, S.2
-
3
-
-
0002430255
-
-
Belyakov, A. V.; Zavgorodnii, V. S.; Mastryukov, V. S. Zh. Strukt. Khim. 1989, 30, 34.
-
(1989)
Zh. Strukt. Khim.
, vol.30
, pp. 34
-
-
Belyakov, A.V.1
Zavgorodnii, V.S.2
Mastryukov, V.S.3
-
4
-
-
0001380903
-
-
Vacek, G.; Mastryukov, V. S.; Schaefer, H. F., III. J. Phys. Chem. 1994, 98, 11337.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 11337
-
-
Vacek, G.1
Mastryukov, V.S.2
Schaefer III, H.F.3
-
5
-
-
37049083958
-
-
Berry, A.; Dawoodi, Z.; Derome, A. E.; Dickinson, J. M.; Downs, A. J.; Green, J. C.; Green, M. L. H.; Hare, P. M.; Payne, M. P.; Rankin, D. W. H.; Robertson, H. E. J. Chem. Soc., Chem. Commun. 1986, 520.
-
(1986)
J. Chem. Soc., Chem. Commun.
, pp. 520
-
-
Berry, A.1
Dawoodi, Z.2
Derome, A.E.3
Dickinson, J.M.4
Downs, A.J.5
Green, J.C.6
Green, M.L.H.7
Hare, P.M.8
Payne, M.P.9
Rankin, D.W.H.10
Robertson, H.E.11
-
6
-
-
33845184830
-
-
Briant, P.; Green, J.; Haaland, A.; Møllendal, H.; Rypdal, K.; Tremmel. J. J. Am. Chem. Soc. 1989, 111, 3434.
-
(1989)
J. Am. Chem. Soc.
, vol.111
, pp. 3434
-
-
Briant, P.1
Green, J.2
Haaland, A.3
Møllendal, H.4
Rypdal, K.5
Tremmel, J.6
-
10
-
-
84986468432
-
-
Jonas, V.; Frenking, G.; Reetz, M. T. J. Comput. Chem. 1992, 13, 919.
-
(1992)
J. Comput. Chem.
, vol.13
, pp. 919
-
-
Jonas, V.1
Frenking, G.2
Reetz, M.T.3
-
11
-
-
0001618299
-
-
Berger, S.; Bock, W.; Frenking, G.; Jonas, V.; Müller, F. J. Am. Chem. Soc. 1995, 117, 3820.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 3820
-
-
Berger, S.1
Bock, W.2
Frenking, G.3
Jonas, V.4
Müller, F.5
-
12
-
-
0001592325
-
-
McKean, D. C.; McQuillan, G. P.; Torto, I.; Morrisson, A. R. J. Mol. Struct. 1986, 141, 457. McKean, D. C.; McQuillan, G. P.; Torto, I.; Bednall, N. C.; Downs, A. J.; Dickinson, J. M. J. Mol. Struct. 1991, 247, 73.
-
(1986)
J. Mol. Struct.
, vol.141
, pp. 457
-
-
McKean, D.C.1
McQuillan, G.P.2
Torto, I.3
Morrisson, A.R.4
-
13
-
-
0002990041
-
-
McKean, D. C.; McQuillan, G. P.; Torto, I.; Morrisson, A. R. J. Mol. Struct. 1986, 141, 457. McKean, D. C.; McQuillan, G. P.; Torto, I.; Bednall, N. C.; Downs, A. J.; Dickinson, J. M. J. Mol. Struct. 1991, 247, 73.
-
(1991)
J. Mol. Struct.
, vol.247
, pp. 73
-
-
McKean, D.C.1
McQuillan, G.P.2
Torto, I.3
Bednall, N.C.4
Downs, A.J.5
Dickinson, J.M.6
-
15
-
-
0002426616
-
-
Brookhart, M.; Green, M. L. H.; Wong, L.-L. Prog. Inorg. Chem. 1988, 36, 1.
-
(1988)
Prog. Inorg. Chem.
, vol.36
, pp. 1
-
-
Brookhart, M.1
Green, M.L.H.2
Wong, L.-L.3
-
16
-
-
37049076923
-
-
Dawoodi, Z.; Green, M. L. H.; Mtetwa, V. S. B.; Prout, K.; Schultz, A. J.; Williams, J. M.; Koetzle, T. F. J. Chem. Soc., Dalton Trans. 1986, 1629.
-
(1986)
J. Chem. Soc., Dalton Trans.
, pp. 1629
-
-
Dawoodi, Z.1
Green, M.L.H.2
Mtetwa, V.S.B.3
Prout, K.4
Schultz, A.J.5
Williams, J.M.6
Koetzle, T.F.7
-
17
-
-
0039324718
-
-
Antipin, M. Yu.; Troyanov, S. I.; Struchkov, Yu. T.; Bresler, L. S. Metalloorg. Khim. 1988, 1, 111.
-
(1988)
Metalloorg. Khim.
, vol.1
, pp. 111
-
-
Antipin, M.Yu.1
Troyanov, S.I.2
Struchkov, Yu.T.3
Bresler, L.S.4
-
18
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T. A.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W., Wong, M. W.; Andres, J. L.; Repogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, J. D.; Binkley, J. S.; Defrees, D. J.; Baker, J. P.; Stewart, J. P.; Head-Gordon, M.; Gonzales, C.; Pople, J. A. Gaussian 94; Gaussian, Inc.: Pittsburgh, PA, 1995.
-
(1995)
Gaussian 94
-
-
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.A.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
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Repogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, J.D.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.P.31
Stewart, J.P.32
Head-Gordon, M.33
Gonzales, C.34
Pople, J.A.35
more..
-
21
-
-
0001610389
-
-
Johnson, B. G.; Frisch, M. J. Chem. Phys. Lett. 1993, 216, 133. Johnson, B. G.; Frisch, M. J. J. Chem. Phys. 1994, 100, 7429.
-
(1993)
Chem. Phys. Lett.
, vol.216
, pp. 133
-
-
Johnson, B.G.1
Frisch, M.J.2
-
22
-
-
36449006224
-
-
Johnson, B. G.; Frisch, M. J. Chem. Phys. Lett. 1993, 216, 133. Johnson, B. G.; Frisch, M. J. J. Chem. Phys. 1994, 100, 7429.
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 7429
-
-
Johnson, B.G.1
Frisch, M.J.2
-
23
-
-
26844534384
-
-
Krishnan, R.; Binkley, J. S.; Seeger, R.; Pople, J. A. J. Chem. Phys. 1980, 72, 650.
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 650
-
-
Krishnan, R.1
Binkley, J.S.2
Seeger, R.3
Pople, J.A.4
-
28
-
-
11544330774
-
-
Daresbury: U.K.
-
Guest, M. F.; Fantucci, P.; Harrison, R. J.; Kendrick, J.; van Lenthe, J. H.; Schoeffel, K.; Sherwood, P. Computing for Science Ltd.; Daresbury: U.K., 1993.
-
(1993)
Computing for Science Ltd.
-
-
Guest, M.F.1
Fantucci, P.2
Harrison, R.J.3
Kendrick, J.4
Van Lenthe, J.H.5
Schoeffel, K.6
Sherwood, P.7
-
29
-
-
11744283687
-
-
Hehre, W. J.; Stewart, R. F.; Pople, J. A. J. Chem. Phys. 1969, 51, 2657. Hehre, W. J.; Ditchfield, R.; Stewart, R. F.; Pople, J. A. J. Chem. Phys. 1970, 52, 2769. Tatewaki, H.; Huzinaga, S. J. Chem. Phys. 1980, 72, 399.
-
(1969)
J. Chem. Phys.
, vol.51
, pp. 2657
-
-
Hehre, W.J.1
Stewart, R.F.2
Pople, J.A.3
-
30
-
-
36849104916
-
-
Hehre, W. J.; Stewart, R. F.; Pople, J. A. J. Chem. Phys. 1969, 51, 2657. Hehre, W. J.; Ditchfield, R.; Stewart, R. F.; Pople, J. A. J. Chem. Phys. 1970, 52, 2769. Tatewaki, H.; Huzinaga, S. J. Chem. Phys. 1980, 72, 399.
-
(1970)
J. Chem. Phys.
, vol.52
, pp. 2769
-
-
Hehre, W.J.1
Ditchfield, R.2
Stewart, R.F.3
Pople, J.A.4
-
31
-
-
0042442434
-
-
Hehre, W. J.; Stewart, R. F.; Pople, J. A. J. Chem. Phys. 1969, 51, 2657. Hehre, W. J.; Ditchfield, R.; Stewart, R. F.; Pople, J. A. J. Chem. Phys. 1970, 52, 2769. Tatewaki, H.; Huzinaga, S. J. Chem. Phys. 1980, 72, 399.
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 399
-
-
Tatewaki, H.1
Huzinaga, S.2
-
35
-
-
2542575235
-
-
To be published
-
McGrady, G. S.; Downs, A. J.; Bednall, N. C.; McKean, D. C.; Frenking, G.; Jonas, V.; Thiel, W. To be published.
-
-
-
McGrady, G.S.1
Downs, A.J.2
Bednall, N.C.3
McKean, D.C.4
Frenking, G.5
Jonas, V.6
Thiel, W.7
-
36
-
-
2542584290
-
-
note
-
4 (tensimetric) confirmed a value of n in the range 1.95-2.05 for each sample. The small scale of operation rendered higher accuracy unattainable.
-
-
-
-
37
-
-
0013323066
-
-
Wiley: New York, Collect
-
Noller, C. R. Organic Syntheses; Wiley: New York, 1943; Collect. Vol. II, p 184.
-
(1943)
Organic Syntheses
, vol.2
, pp. 184
-
-
Noller, C.R.1
-
38
-
-
37049084704
-
-
Green, M. L. H.; Hughes, A. K.; Popham, N. A.; Stephens, A. H. H.; Wong, L.-L. J. Chem. Soc., Dalton Trans. 1992, 3077.
-
(1992)
J. Chem. Soc., Dalton Trans.
, pp. 3077
-
-
Green, M.L.H.1
Hughes, A.K.2
Popham, N.A.3
Stephens, A.H.H.4
Wong, L.-L.5
-
40
-
-
0003083160
-
-
Zeil, W.; Haase, J.; Wegmann, L. Z. Instrumentenk. 1966, 74, 84. Bastiansen, O.; Graber, R.; Wegmann, L. Balzers High Vacuum Report 1969, 25, 1.
-
(1966)
Z. Instrumentenk.
, vol.74
, pp. 84
-
-
Zeil, W.1
Haase, J.2
Wegmann, L.3
-
41
-
-
0002329344
-
-
Zeil, W.; Haase, J.; Wegmann, L. Z. Instrumentenk. 1966, 74, 84. Bastiansen, O.; Graber, R.; Wegmann, L. Balzers High Vacuum Report 1969, 25, 1.
-
(1969)
Balzers High Vacuum Report
, vol.25
, pp. 1
-
-
Bastiansen, O.1
Graber, R.2
Wegmann, L.3
-
42
-
-
0001537807
-
Complex Scattering Factors for the Diffraction of Electrons by Gases
-
Ibers, J. A., Hamilton, W. C., Eds.; Kynoch Press: Birmingham, AL
-
Bonham, R. A.; Schäfer, L. Complex Scattering Factors for the Diffraction of Electrons by Gases. In International Tables for X-Ray Crystallography: Ibers, J. A., Hamilton, W. C., Eds.; Kynoch Press: Birmingham, AL, 1974; Vol. 4.
-
(1974)
International Tables for X-Ray Crystallography
, vol.4
-
-
Bonham, R.A.1
Schäfer, L.2
-
44
-
-
0002950409
-
-
Blom, R.; Rypdal, K.; Mena, M.; Royo, P.; Serrano, R. J. Organomet. Chem. 1990, 391, 47.
-
(1990)
J. Organomet. Chem.
, vol.391
, pp. 47
-
-
Blom, R.1
Rypdal, K.2
Mena, M.3
Royo, P.4
Serrano, R.5
-
45
-
-
0002734621
-
-
Iijima, T.; Shimoda, T.; Hattori, H. J. Mol. Struct. 1995, 350, 57.
-
(1995)
J. Mol. Struct.
, vol.350
, pp. 57
-
-
Iijima, T.1
Shimoda, T.2
Hattori, H.3
-
48
-
-
0002266095
-
-
Almenningen, A.; Samdal, S.; Christen, D. J. Mol. Struct. 1978, 48, 69.
-
(1978)
J. Mol. Struct.
, vol.48
, pp. 69
-
-
Almenningen, A.1
Samdal, S.2
Christen, D.3
-
49
-
-
33845550042
-
-
French, R. J.; Hedberg, L.; Hedberg, K.; Gard, G. L.; Johnson, B. M. Inorg. Chem. 1983, 22, 892.
-
(1983)
Inorg. Chem.
, vol.22
, pp. 892
-
-
French, R.J.1
Hedberg, L.2
Hedberg, K.3
Gard, G.L.4
Johnson, B.M.5
-
50
-
-
0342409779
-
-
Bent, H. A. J. Chem. Ed. 1960, 37, 616; Chem. Rev. 1961, 61, 275.
-
(1960)
J. Chem. Ed.
, vol.37
, pp. 616
-
-
Bent, H.A.1
-
51
-
-
33947479158
-
-
Bent, H. A. J. Chem. Ed. 1960, 37, 616; Chem. Rev. 1961, 61, 275.
-
(1961)
Chem. Rev.
, vol.61
, pp. 275
-
-
-
52
-
-
0000319606
-
-
Jonas, V.; Boehme, C.; Frenking, G. Inorg. Chem. 1996, 35, 2097.
-
(1996)
Inorg. Chem.
, vol.35
, pp. 2097
-
-
Jonas, V.1
Boehme, C.2
Frenking, G.3
-
53
-
-
2542547774
-
-
note
-
z2 orbital is no longer excluded by symmetry and the situation becomes intractable.
-
-
-
-
54
-
-
0011083499
-
-
Reed, A. E.; Curtiss, L. A.; Weinhold, F. Chem. Rev. 1988, 88, 899.
-
(1988)
Chem. Rev.
, vol.88
, pp. 899
-
-
Reed, A.E.1
Curtiss, L.A.2
Weinhold, F.3
-
55
-
-
2542535700
-
-
To be published
-
Palmer, M. H. To be published.
-
-
-
Palmer, M.H.1
-
56
-
-
2542578278
-
-
note
-
- ions initially diametrically opposed about this cation in order to minimize Coulombic repulsion between the two negative charges and occupying pseudoaxial positions in a sawhorse arrangement. Introduction of a degree of covalent character into the Ti-Cl bonds will lead to greater use of the valence orbitals at the Ti atom and the incorporation of further d character into all Ti-X bonds. Consequently, the Cl-Ti-Cl angle will close down and the C-Ti-C angle will open up from 90° until the combined covalent and electrostatic interactions reach a minimum on the potential energy surface. Such a model makes qualitative sense of the observed valence angles, but suffers from the drawback that Ti s character is again concentrated in the Ti-C bonds, a conclusion at odds with the population analyses we have performed.
-
-
-
-
59
-
-
0000857572
-
-
McKean, D. C. Chem. Soc. Rev. 1978, 7, 399; Croat. Chem. Acta 1988, 61, 447.
-
(1978)
Chem. Soc. Rev.
, vol.7
, pp. 399
-
-
McKean, D.C.1
-
60
-
-
0000857572
-
-
McKean, D. C. Chem. Soc. Rev. 1978, 7, 399; Croat. Chem. Acta 1988, 61, 447.
-
(1988)
Croat. Chem. Acta
, vol.61
, pp. 447
-
-
|