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14
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-
33947087000
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-
A tentative structure of 1,2,4-tris(o-carboranyl)benzene was assigned to a product of trimerization of 1-ethynyl-o-carborane based on NMR, IR, MS, and combustion data. No structural studies were reported K.P. Callahan, and M.F. Hawthorne J. Am. Chem. Soc. 95 1973 4574 4580
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J. Am. Chem. Soc.
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, pp. 4574-4580
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Callahan, K.P.1
Hawthorne, M.F.2
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16
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11144295658
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note
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20: C, 33.13; H, 7.23. Found: C, 33.37; H, 6.93
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-
-
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20
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0037423672
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E.S. Alekseyeva, A. Batsanov, L.A. Boyd, M.A. Fox, T.G. Hibbert, J.A.K. Howard, J.A.H. MacBride, A. Mackinnon, and K. Wade J. Chem. Soc., Dalton Trans. 2003 475 482
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(2003)
J. Chem. Soc., Dalton Trans.
, pp. 475-482
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Alekseyeva, E.S.1
Batsanov, A.2
Boyd, L.A.3
Fox, M.A.4
Hibbert, T.G.5
Howard, J.A.K.6
MacBride, J.A.H.7
MacKinnon, A.8
Wade, K.9
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21
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11144297127
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note
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3; R, 0.069
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-
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22
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11144348950
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For simplicity, the numbering scheme used in the text and figures is altered from the original in the CIF file
-
For simplicity, the numbering scheme used in the text and figures is altered from the original in the CIF file
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23
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0002402076
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G.A. Jeffrey, J.R. Ruble, R.K. McMullan, and J.A. Pople Proc. R. Soc. London, A 414 1987 47 57
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(1987)
Proc. R. Soc. London, a
, vol.414
, pp. 47-57
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-
Jeffrey, G.A.1
Ruble, J.R.2
McMullan, R.K.3
Pople, J.A.4
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24
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84860068313
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5 as preliminary results. Final results have not yet been published
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5 as preliminary results. Final results have not yet been published
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-
Nakayama, J.1
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25
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0004133516
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-
Gaussian, Inc., Pittsburgh PA
-
2 point group symmetry. The mean difference between the experimental and calculated bond lengths in cluster A is 0.002 Å (std 0.027) and in cluster B is 0.000 Å (std 0.015). No conformational analysis of 1 was attempted. Gaussian 98, Revision A.9, Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Baboul, A. G.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian, Inc., Pittsburgh PA, 1998
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(1998)
Gaussian 98, Revision A.9
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-
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 Jr. J. A8
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
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Baboul, A.G.36
Stefanov, B.B.37
Liu, G.38
Liashenko, A.39
Piskorz, P.40
Komaromi, I.41
Gomperts, R.42
Martin, R.L.43
Fox, D.J.44
Keith, T.45
Al-Laham, M.A.46
Peng, C.Y.47
Nanayakkara, A.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Gonzalez, C.55
Head-Gordon, M.56
Replogle, E.S.57
Pople, J.A.58
more..
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26
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11144327515
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note
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s symmetry) represents a rotational transition state
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28
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0001005420
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P.T. Brain, J. Cowie, D.J. Donohoe, D. Hnyk, D.W.H. Rankin, D. Reed, B.D. Reid, H.E. Robertson, A.J. Welch, M. Hofmann, and P.v.R. Schleyer Inorg. Chem. 35 1996 1701 1708
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Brain, P.T.1
Cowie, J.2
Donohoe, D.J.3
Hnyk, D.4
Rankin, D.W.H.5
Reed, D.6
Reid, B.D.7
Robertson, H.E.8
Welch, A.J.9
Hofmann, M.10
Schleyer, V.P.R.11
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