Crystal structure of boryllithium with two THF molecules and DFT analysis of its property as a boryl anion

Chemistry Letters

Volumn 37, Issue 7, 2008, Pages 802-803

  Yamashita, Makoto ^a   Suzuki, Yuta ^a   Segawa, Yasutomo ^a   Nozaki, Kyoko ^a  

^a UNIVERSITY OF TOKYO   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 49149120562     PISSN: 03667022     EISSN: None     Source Type: Journal    
DOI: 10.1246/cl.2008.802     Document Type: Article

References (25)

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7. 3 has recently been reported to give the corresponding base-stabilized diborene species, (NHC)B=B(NHC) where NHC = N-heterocyclic carbene. See: Y. Wang, B. Quillian, P. Wei, C. S. Wannere, Y. Xie, R. B. King, H. F. Schaefer, P. v. R. Schleyer, G. H. Robinson, J. Am. Chem. Soc. 2007, 129, 12412.
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10. 2. This data can be obtained free of charge from The Cambridge Crystallographic Data Centre via http://www.ccdc.cam. ac.uk/data_request/cif.
11. Similar crystal structure has been reported for 2,6-bis(1-naphthyl)- phenyllithium with two THF molecules. See: G. W. Rabe, R. D. Sommer, A. L. Rheingold, Organometallics 2000, 19, 5537.
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13. 10
14. See: T. Kottke, K. Sung, R. J. Lagow, Angew. Chem., Int. Ed. Engl. 1995, 34, 1517.
15. 2.
16. 7Li coupling constant has been reported. See: J. E. Del Bene, J. Elguero, Magn. Reson. Chem. 2007, 45, 484.
17. 11B NMR chemical shift.
18. 2- structure observed for alkyllithium species is less probable because of the bulkyl substituents on the boron center.
19. 6 in gas phase was reported in the following reference. See: T. P. Onak, H. Landesman, R. E. Williams, I. Shapiro, J. Phys. Chem. 1959, 63, 1533.
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23. This result is consistent with that of the previously reported AIM analysis on non-solvated alkyllithiums have ionic C-Li bonds. See: a) R. F. W. Bader, P. J. Macdougall, J. Am. Chem. Soc. 1985, 107, 6788.
24. b) J. P. Ritchie, S. M. Bachrach, J. Am. Chem. Soc. 1987, 109, 5909.
25. Supporting Information is available electronically on the CSJ-Journal Web site, http://www.csj.jp/journals/chem-lett/index.html.