Two isomers with an Al4C8 framework

Chemistry - A European Journal

Volumn 4, Issue 11, 1998, Pages 2142-2147

  Üffing, Christoph ^a   Ecker, Achim ^a   Köppe, Ralf ^a   Merzweiler, Kurt ^b   Schnöckel, Hansgeorg ^a  

^a UNIVERSITY OF KARLSRUHE   (Germany)

^b MARTIN LUTHER UNIVERSITY HALLE WITTENBERG   (Germany)

Author keywords

Ab initio calculations; Alkenes; Alkynes; Aluminium; Pi interactions

Indexed keywords

ARTICLE; CHEMICAL BOND; CHEMICAL STRUCTURE; CRYSTAL STRUCTURE; HIGH TEMPERATURE; ISOMER; POLYMERIZATION; X RAY ANALYSIS;

EID: 0031775296     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1521-3765(19981102)4:11<2142::AID-CHEM2142>3.0.CO;2-1     Document Type: Article

References (58)

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11. Ni compounds: J. L. Davidson, M. Green, F. G. A. Stone, A. J. Welch, J. Chem. Soc. Dalton Trans. 1979, 506-514; M. G. Thomas, E. L. Muetterties, R. O. Day, V. W. Day, J. Am. Chem. Soc. 1976, 95, 4645-4646; review: a) E. Sappa, A. Tiripicchia P. Braunstein, Chem. Rev. 1983, 83, 203-239; b) P. R. Raithby, M. J. Rosales, Adv. Inorg. Chem. Radiochem. 1985, 29, 169-247; c) A. J. Deeming, J. Organomet. Chem. 1978, 150, 123-128; d) F. W. B. Einstein, K. G. Tyers, A. S. Tracey, D. Sutton, Inorg. Chem. 1986, 25, 1631-1640; e) R. S. Dickson, O. M. Paravagna, H. Pateras, Organometallics 1990, 9, 2780-2785.
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16. If the toluene condensate was left to stand for some weeks at -50°C, hexaethylbenzene was formed.
17. An X-ray structure analysis performed on a single crystal of 2 at 200 K gave the same result. Further details of the crystal structure investigations can be obtained from the Fachinformationszentrum Karlsruhe, D-76344 Eggenstein-Leopoldshafen (Germany) (Fax: (+49) 7247-808-666; e-mail: crysdata@fiz-karlsruhe.de), on quoting the depository numbers CSD-408400 (2), CSD-408401 (4), and CSD-380163(5).
18. 4 isomer (2a, 2c): energy (total): -3113.735205; selected distances: Al-Al: 339.5 or 316.6; Al-C(σ): 201.2 or 199.6; Al-C(π): 250.4 or 244.9; Al-Cl: 212.5; C=C: 135.4. SEN: Al-Al (0.09) or (0.27), Al-Cl (1.24), Al-C(σ) (1.32 or 1.30), Al-C(π) (0.65 or 0.64), C=C (2.22); Al-C=C (0.38), Al-Al-C (0.07 or 0.12).
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