A theoretical evaluation of steric and electronic effects on the structure of [OsO4(NR3)] (NR3 = bulky chiral alkaloid derivative) complexes

Theoretical Chemistry Accounts

Volumn 94, Issue 2, 1996, Pages 67-73

  Ujaque, Gregori ^a   Maseras, Feliu ^a   Lledós, Agustí ^a  

^a UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

Author keywords

IMOMM method; Steric effects; Transition Metal Chemistry; OsO4(NR3) complexes

Indexed keywords

EID: 0002928042     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/bf00194932     Document Type: Article

References (10)

1. Kolb HC, VanNieuwenhze MS, Sharpless KB (1994) Chem Rev 94:2483-2547, and references therein
2. Corey EJ, Noe MC (1993) J Am Chem Soc 115:2579-2580
3. Kolb HC, Andersson PF, Bennani YL, Crispino GA, Jeong K-S, Kwong HL, Sharpless KB (1993) J Am Chem Soc 115:12 226-12 227.
4. Norrby P-O, Kolb HC, Sharpless KB (1994) Organometallics 13:344-347
5. Veldkamp A, Frenking G (1994) J Am Chem Soc 116:4937-4946
6. Hay PJ, Wadt WR (1985) J Chem Phys 82:299-310
7. Binkley JS, Pople JA, Hehre WJ (1980) J Am Chem Soc 102:939-947
8. (a) Hehre WJ, Ditchfield R, Pople JA (1972) J Chem Phys 56:2257-2261
9. (b) Hariharan PC, Pople JA (1973) Theor Chim Acta 28:213
10. Apart from the modifications required by the method [8], all torsional contributions associated to dihedral angles involving the metal atom were set to zero. Finally, the very few parameters of complex 2 that are not provided by the program were set to values corresponding to similar atoms