A Theoretical Study of the Half-Sandwich Silicon(II) Cation [(Me5C5)Si]+ and of the Cationic Complex [(Me5C5)Si (DME)]+

Silicon

Volumn 2, Issue 4, 2011, Pages 229-234

  Berger, Raphael Johann Friedrich ^a   Leszczyńska, Kinga ^a   Jutzi, Peter ^a  

^a BIELEFELD UNIVERSITY   (Germany)

Author keywords

Ab initio calculations; MO calculations; O Si(II) dative bonds; Silicon "lone pair"; Silicon(II) complexes; Silicon(II) compounds

Indexed keywords

AB INITIO CALCULATIONS; ATOMIC CHARGE; CATIONIC COMPLEXES; COMPLEXATION ENERGY; DATIVE BONDS; DISPERSION INTERACTION; FRONTIER ORBITALS; GROUND-STATE ENERGIES; HALF-SANDWICH; LONE PAIR; MO CALCULATIONS; ORBITALS; POSITIVE CHARGES; SINGLET-TRIPLET; THEORETICAL STUDY;

COMPLEXATION; DYES; EXCITED STATES; POSITIVE IONS; SILICON COMPOUNDS;

SILICON;

EID: 79952042705     PISSN: 1876990X     EISSN: 18769918     Source Type: Journal    
DOI: 10.1007/s12633-010-9061-8     Document Type: Article

References (29)

1. Jutzi P, Kanne D, Krueger C (1986) Angew Chem 98: 163.
2. Kuehler T, Jutzi P (2003) Adv Organomet Chem 49: 1.
3. Jutzi P, Mix A, Rummel B, Schoeller WW, Neumann B, Stammler H-G (2004) Science 305: 849-851.
4. Wade K (1976) Adv Inorg Radiochem 18: 1.
5. Williams RE (1976) Adv Inorg Radiochem 18: 67.
6. Rudolph RW (1976) Acc Chem Res: 446.
7. Jemmis ED, von R Schleyer P (1982) J Am Chem Soc 104: 4781-4788.
8. Jutzi P, Mix A, Neumann B, Rummel B, Stammler H-G (2006) Chem Commun 3519-3521.
9. Jutzi P, Leszczynska K, Neumann B, Schöller WW, Stammler HG (2009) Angew Chem 121: 2467-2470, Angew Chem Int Ed 2009 48: 2596-2599.
10. Jutzi P, Leszczynska K, Mix A, Neumann B, Schöller WW, Stammler H-G (2009) Organometallics 28: 1985-1987.
11. Jutzi P, Mix A, Neumann B, Rummel B, Schöller WW, Stammler H-G, Rozhenko AB (2009) J Am Chem Soc 131: 12137-12143.
12. Berger RJF, Jutzi P, Leszczyńska K, Mix A, Neumann B, Rummel B, Stammler H-G, in preparation.
13. Ahlrichs R, Bär M, Häser M, Horn H, Kölmel C (1989) Chem Phys Lett 162: 165.
14. Häser M, Ahlrichs R (1989) J Comput Chem 10: 104.
15. Haase F, Ahlrichs R (1993) J Comput Chem 14: 907.
16. Weigend F, Furche F, Ahlrichs R (2003) J Chem Phys 119: 12753.
17. Hättig C (2003) J Chem Phys 118: 7751.
18. Hättig C (2005) Phys Chem Chem Phys 7: 59.
19. Grimme S (2003) J Chem Phys 118: 9095.
20. Kollwitz M, Gauss J (1996) Chem Phys Lett 260: 639.
21. Hättig C, Weigend F (2000) J Chem Phys 113: 5154.
22. Reed AE, Weinstock RB, Weinhold F (1985) J Chem Phys 83(2): 735.
23. Macdonald CLB, Cowley AH (1999) J Am Chem Soc 121: 12113-12126.
24. Jutzi P, Reumann G (2000) J Chem Soc Dalton Trans 14: 2237-2482.
25. Gerenkamp M, Grimme S (2004) Chem Phys Lett 392: 229-235.
26. Hagemann M, Berger RJF, Hayes SA, Stammler HG, Mitzel NW (2008) Chem Eur J 14: 11027-38.
27. Jonas V, Frenking G, Reetz MT (1994) J Am Chem Soc 116: 8741.
28. Ottoson CH, Cremer D (1996) Organometallics 15: 5309-5320.
29. Berlekamp UH, Jutzi P, Mix A, Neumann B, Stammler HG, Schoeller WW (1999) Angew Chem 111: 2071-2073, Angew Chem Int Ed 1999, 38: 2048-2050.