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VCH, Deerfield Beach
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P,P = 177 Hz (203 K) to 204 Hz (363 K)). The precise origin of this effect, which is likewise known for other diphosphanes and has been explained by temperature-dependent equilibria between conformers (cf. J. G. Verkade, L. D. Quin, P-31 NMR-Spectroscopy in Stereochemical Analysis, VCH, Deerfield Beach, 1987, p. 450f), is currently being intensively investigated.
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Verkade, J.G.1
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7
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4644363313
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2 = 0.125 (all data). CCDC-232847 (5 a) and CCDC-232848 (5 b) contain the supplementary crystallographic data for this paper. These data can be obtained free of charge via www.ccdc.cam.ac.uk/conts/ retrieving.html (or from the Cambridge Crystallographic Data Centre, 12, Union Road, Cambridge CB2 1EZ, UK; fax: (+44)1223-336-033; or deposit@ccdc.cam.ac.uk).
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Sheldrick, G.M.1
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10
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4644226651
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note
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2 (R = nonmetal substituent).
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11
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0035913768
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S. L. Hinchley, C. A. Morrison, D. W. H. Rankin, C. L. B. Macdonald, R. J. Wiacek, A. Voigt, A. H. Cowley, M. F. Lappert, G. Gundersen, J. A. C. Clyburne, P. P. Power, J. Am. Chem. Soc. 2001, 123, 9045.
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Cowley, A.H.7
Lappert, M.F.8
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13
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4644220179
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-
note
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Average ±3 standard deviations as result of a query in the CCSD data base for P-C and C-C distances in phospholes.
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14
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0004133516
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Gaussian, Inc., Pittsburgh PA
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All computations were carried out at the B3LYP/6-31g(d)-level with the Gaussian program package: Gaussian 98 (Rev. A.7), M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, 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. G. Johnson, W. Chen, M. W. Wong, J. L. Andres, M. Head-Gordon, E. S. Replogle, J. A. Pople, Gaussian, Inc., Pittsburgh PA, 1998.
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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
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, I.40
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Martin, R.L.42
Fox, D.J.43
Keith, T.44
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Peng, C.Y.46
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Gonzalez, C.48
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Replogle, E.S.56
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more..
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15
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0003915529
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Theoretical Chemistry Institute, Univ. of Wisconsin, Madison, WI
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NBO 5.0: E. D. Glendening, J. K. Badenhoop, A. E. Reed, J. E. Carpenter, J. A. Bohmann, C. M. Morales, F. Weinhold, Theoretical Chemistry Institute, Univ. of Wisconsin, Madison, WI, 2001; http://www.chem.wisc.edu/~nbo5.
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Weinhold, F.7
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16
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4644332237
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-
note
-
In addition to 5″ and 5‴, further ionic canonical structures were found which feature delocalization of the negative charge within the phospholyl fragment.
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-
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17
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37049067442
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-
A quite similar bonding situation was established for cyclopentadienyl phosphenium or arsenium ions, respectively; see: D. Gudat, M. Nieger, E. Niecke, J. Chem. Soc. Dalton Trans. 1989, 693; P. Jutzi, T. Wippermann, C. Krüger, H.-J. Kraus, Angew. Chem. 1983, 95, 244; Angew. Chem. Int. Ed. Engl. 1983, 22, 250.
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Gudat, D.1
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18
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0010964046
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-
A quite similar bonding situation was established for cyclopentadienyl phosphenium or arsenium ions, respectively; see: D. Gudat, M. Nieger, E. Niecke, J. Chem. Soc. Dalton Trans. 1989, 693; P. Jutzi, T. Wippermann, C. Krüger, H.-J. Kraus, Angew. Chem. 1983, 95, 244; Angew. Chem. Int. Ed. Engl. 1983, 22, 250.
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19
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84985579900
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A quite similar bonding situation was established for cyclopentadienyl phosphenium or arsenium ions, respectively; see: D. Gudat, M. Nieger, E. Niecke, J. Chem. Soc. Dalton Trans. 1989, 693; P. Jutzi, T. Wippermann, C. Krüger, H.-J. Kraus, Angew. Chem. 1983, 95, 244; Angew. Chem. Int. Ed. Engl. 1983, 22, 250.
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20
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4644333975
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note
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2). The regiochemistry in 10 a,b was unequivocally established from 2D-NOESY spectra.
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-
-
-
21
-
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4644250996
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-
note
-
1H NMR data with those of authentic samples.
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-
-
-
23
-
-
4644363312
-
-
note
-
31P HMQC NMR spectra.
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24
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0039832439
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M. Baudler, B. Makowka, Angew. Chem. 1984, 96, 976; Angew. Chem. Int. Ed. Engl. 1984, 23, 987; M. Baudler, L. De Riese-Meyer, Z. Naturforsch. B 1986, 41, 399.
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84985516422
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4644350416
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note
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Additions of symmetrical diphosphanes to olefins are possible under drastic conditions, but have hardly gained any relevance (cf. ref.[18]).
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30
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4644338610
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N. J. Hardman, M. B. Abrams, M. A. Pribisko, T. M. Gilbert, R. L. Martin, G. J. Kubas, R. T. Baker, Angew. Chem. 2004, 116, 1989; Angew. Chem. Int. Ed. 2004, 43, 1955.
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4544334178
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N. J. Hardman, M. B. Abrams, M. A. Pribisko, T. M. Gilbert, R. L. Martin, G. J. Kubas, R. T. Baker, Angew. Chem. 2004, 116, 1989; Angew. Chem. Int. Ed. 2004, 43, 1955.
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