-
3
-
-
0038092687
-
Steric effects in metallacarboranes
-
Braunstein P., Oro L.A., and Raithby P.R. (Eds), Wiley-VCH, Weinheim (a review)
-
Welch A.J. Steric effects in metallacarboranes. In: Braunstein P., Oro L.A., and Raithby P.R. (Eds). Metal Clusters in Chemistry (1999), Wiley-VCH, Weinheim 26 (a review)
-
(1999)
Metal Clusters in Chemistry
, pp. 26
-
-
Welch, A.J.1
-
4
-
-
0000038213
-
-
McWhannel M.A., Rosair G.M., Welch A.J., Teixidor F., and Viñas C. J. Organomet. Chem. 573 (1999) 165
-
(1999)
J. Organomet. Chem.
, vol.573
, pp. 165
-
-
McWhannel, M.A.1
Rosair, G.M.2
Welch, A.J.3
Teixidor, F.4
Viñas, C.5
-
5
-
-
0038769398
-
-
Davidson M.G., Hughes A.K., Marder T.B., and Wade K. (Eds), Royal Society of Chemistry, Cambridge, UK
-
Barbera G., Dunn S., Fox M., Garrioch R.M., Hodson B.E., Low K.S., Rosair G.M., Teixidor F., Viñas C., Welch A.J., and Weller A.S. In: Davidson M.G., Hughes A.K., Marder T.B., and Wade K. (Eds). Contemporary Boron Chemistry (2000), Royal Society of Chemistry, Cambridge, UK 329
-
(2000)
Contemporary Boron Chemistry
, pp. 329
-
-
Barbera, G.1
Dunn, S.2
Fox, M.3
Garrioch, R.M.4
Hodson, B.E.5
Low, K.S.6
Rosair, G.M.7
Teixidor, F.8
Viñas, C.9
Welch, A.J.10
Weller, A.S.11
-
6
-
-
0001328521
-
-
Teixidor F., Viñas C., Flores M.A., Rosair G.M., Welch A.J., and Weller A.S. Inorg. Chem. 37 (1998) 5394
-
(1998)
Inorg. Chem.
, vol.37
, pp. 5394
-
-
Teixidor, F.1
Viñas, C.2
Flores, M.A.3
Rosair, G.M.4
Welch, A.J.5
Weller, A.S.6
-
8
-
-
0035904256
-
-
Llop J., Viñas C., Teixidor F., Victori L., Kivekäs R., and Sillanpää R. Organometallics 20 (2001) 4024
-
(2001)
Organometallics
, vol.20
, pp. 4024
-
-
Llop, J.1
Viñas, C.2
Teixidor, F.3
Victori, L.4
Kivekäs, R.5
Sillanpää, R.6
-
10
-
-
33745683983
-
-
McIntosh R.D., Ellis D.E., Giles B.T., Macgregor S.A., Rosair G.M., and Welch A.J. Inorg. Chim. Acta 359 (2006) 3745
-
(2006)
Inorg. Chim. Acta
, vol.359
, pp. 3745
-
-
McIntosh, R.D.1
Ellis, D.E.2
Giles, B.T.3
Macgregor, S.A.4
Rosair, G.M.5
Welch, A.J.6
-
12
-
-
34547512942
-
-
Alekseev L.S., Dolgushin F.M., Korlukov A.S., Godovikov I.A., Vorontsov E.V., and Chizhevsky I.T. Organometallics 26 (2007) 3868
-
(2007)
Organometallics
, vol.26
, pp. 3868
-
-
Alekseev, L.S.1
Dolgushin, F.M.2
Korlukov, A.S.3
Godovikov, I.A.4
Vorontsov, E.V.5
Chizhevsky, I.T.6
-
13
-
-
0035528259
-
-
[Izv. Akad. Nauk, Ser. Khim. (2001) 1620]
-
Zinevich T.V., Safronov A.V., Vorontsov E.V., Petrovskii P.V., and Chizhevsky I.T. Russ. Chem. Bull. 50 (2001) 1702 [Izv. Akad. Nauk, Ser. Khim. (2001) 1620]
-
(2001)
Russ. Chem. Bull.
, vol.50
, pp. 1702
-
-
Zinevich, T.V.1
Safronov, A.V.2
Vorontsov, E.V.3
Petrovskii, P.V.4
Chizhevsky, I.T.5
-
14
-
-
0035541803
-
-
[Izv. Akad. Nauk, Ser. Khim. (2001) 2152]
-
Safronov A.V., Zinevich T.V., Dolgushin F.M., Vorontsov E.V., Tok O.L., and Chizhevsky I.T. Russ. Chem. Bull. 50 (2001) 2254 [Izv. Akad. Nauk, Ser. Khim. (2001) 2152]
-
(2001)
Russ. Chem. Bull.
, vol.50
, pp. 2254
-
-
Safronov, A.V.1
Zinevich, T.V.2
Dolgushin, F.M.3
Vorontsov, E.V.4
Tok, O.L.5
Chizhevsky, I.T.6
-
15
-
-
63249100537
-
-
[Izv. Akad. Nauk, Ser. Khim. (2004) 1875]
-
Safronov A.V., Sokolova M.N., Vorontsov E.V., Petrovskii P.V., Barakovskaya I.G., and Chizhevsky I.T. Russ. Chem. Bull. 53 (2004) 1875 [Izv. Akad. Nauk, Ser. Khim. (2004) 1875]
-
(2004)
Russ. Chem. Bull.
, vol.53
, pp. 1875
-
-
Safronov, A.V.1
Sokolova, M.N.2
Vorontsov, E.V.3
Petrovskii, P.V.4
Barakovskaya, I.G.5
Chizhevsky, I.T.6
-
17
-
-
0000412802
-
-
Xie Z., Liu Z., Chiu K.-y., Xue F., and Mak T.C.W. Organometallics 16 (1997) 2460
-
(1997)
Organometallics
, vol.16
, pp. 2460
-
-
Xie, Z.1
Liu, Z.2
Chiu, K.-y.3
Xue, F.4
Mak, T.C.W.5
-
19
-
-
0001569685
-
-
Brown R.K., Williams J.M., Schultz A.J., Stucky G.D., Ittel S.D., and Harlow R.L. J. Am. Chem. Soc. 102 (1980) 981
-
(1980)
J. Am. Chem. Soc.
, vol.102
, pp. 981
-
-
Brown, R.K.1
Williams, J.M.2
Schultz, A.J.3
Stucky, G.D.4
Ittel, S.D.5
Harlow, R.L.6
-
23
-
-
0034620746
-
-
Teixidor F., Flores M.A., Viñas C., Sillanpää R., and Kivekäs R. J. Am. Chem. Soc. 122 (2000) 1963
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 1963
-
-
Teixidor, F.1
Flores, M.A.2
Viñas, C.3
Sillanpää, R.4
Kivekäs, R.5
-
24
-
-
6344257044
-
-
Safronov A.V., Zinevich T.V., Dolgushin F.M., Tok O.L., Vorontsov E.V., and Chizhevsky I.T. Organometallics 23 (2004) 4970
-
(2004)
Organometallics
, vol.23
, pp. 4970
-
-
Safronov, A.V.1
Zinevich, T.V.2
Dolgushin, F.M.3
Tok, O.L.4
Vorontsov, E.V.5
Chizhevsky, I.T.6
-
25
-
-
0042863044
-
-
Safronov A.V., Zinevich T.V., Dolgushin F.M., Vorontsov E.V., Tok O.L., and Chizhevsky I.T. J. Organomet. Chem. 680 (2003) 111
-
(2003)
J. Organomet. Chem.
, vol.680
, pp. 111
-
-
Safronov, A.V.1
Zinevich, T.V.2
Dolgushin, F.M.3
Vorontsov, E.V.4
Tok, O.L.5
Chizhevsky, I.T.6
-
26
-
-
63249111722
-
-
note
-
The choice of solid-state quantum chemical calculation rather than a gas phase study of isolated molecules was dictated by necessity to reproduce the crystal packing features of structures 6 and 9. Actually, in their crystal structures some distances C⋯H and H⋯H between phenyl and methylene groups are less than sum of Van-der-Waals radii of the above atoms (2.42 and 3.02 Å [16,17]) that can be interpreted as the presence of repulsive interactions between these groups (e.g. the interatomic distance C(20)⋯H(14) in crystal of 9 and H⋯H in 6 are equal to 2.77 and 2.12 Å, respectively). Consequently, one may propose that the mutual orientation of phenyl groups will be changed in the absence of the crystal packing and the separation of C(1) and C(2) atoms in the will be increased compared with their crystal structures. Indeed our preliminary calculations of isolated molecules of 6 and 9 using pc-gamess program have shown that the differences between the calculated isolated molecules and experimental C⋯C distance in 6 is 0.07 Å while in 9 it is 0.21 Å, e.g. the former ones are considerably larger than those in the crystals.
-
-
-
-
31
-
-
0000412802
-
-
Xie Z., Liu Z., Chiu K.-Y., Xue F., and Mak T.C.W. Organometallics 16 (1997) 2460
-
(1997)
Organometallics
, vol.16
, pp. 2460
-
-
Xie, Z.1
Liu, Z.2
Chiu, K.-Y.3
Xue, F.4
Mak, T.C.W.5
-
34
-
-
63249095516
-
-
note
-
2 [24].
-
-
-
-
35
-
-
0033244466
-
-
[Izv. Akad. Nauk, Ser. Khim. (1999) 592]
-
Kudinov A.R., Bogoudinov R.T., Petrovskii P.V., and Rybinskaya M.I. Russ. Chem. Bull. 3 (1999) 586 [Izv. Akad. Nauk, Ser. Khim. (1999) 592]
-
(1999)
Russ. Chem. Bull.
, vol.3
, pp. 586
-
-
Kudinov, A.R.1
Bogoudinov, R.T.2
Petrovskii, P.V.3
Rybinskaya, M.I.4
-
37
-
-
63249096215
-
-
G. Kresse, Thesis, Technische Universitat Wien, 1993.
-
G. Kresse, Thesis, Technische Universitat Wien, 1993.
-
-
-
-
41
-
-
0036827661
-
-
Gonze X., Beuken J.-M., Caracas R., Detraux F., Fuchs M., Rignanese G.-M., Sindic L., Verstraete M., Zerah G., Jollet F., Torrent M., Roy A., Mikami M., Ghosez P., Raty J.-Y., and Allan D.C. Comput. Mater. Sci. 25 (2002) 478
-
(2002)
Comput. Mater. Sci.
, vol.25
, pp. 478
-
-
Gonze, X.1
Beuken, J.-M.2
Caracas, R.3
Detraux, F.4
Fuchs, M.5
Rignanese, G.-M.6
Sindic, L.7
Verstraete, M.8
Zerah, G.9
Jollet, F.10
Torrent, M.11
Roy, A.12
Mikami, M.13
Ghosez, P.14
Raty, J.-Y.15
Allan, D.C.16
-
42
-
-
34248180862
-
shelxtl-97 V5.10, Bruker AXS Inc
-
USA
-
G.M. Sheldrick, shelxtl-97 V5.10, Bruker AXS Inc., Madison, WI-53719, USA, 1997.
-
(1997)
Madison, WI-53719
-
-
Sheldrick, G.M.1
|