Synthesis and molecular structure of two six-membered Ru3C3 rings existing in boat- and chairlike configurations formed by insertion of C9H6 units into metal-metal bonds of [Ru3(CO)12]

Organometallics

Volumn 15, Issue 7, 1996, Pages 1834-1838

  Arce, Alejandro J ^a   De Sanctis, Ysaura ^a   Machado, Rubén ^a   Manzur, Jorge ^b   Capparelli, Mario V ^a  

^a INSTITUTO VENEZOLANO DE INVESTIGACIONES CIENTÍFICAS   (Venezuela)

^b DEPARTAMENTO DE FÍSICA   (Chile)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0007750675     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om9600102     Document Type: Article

References (25)

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10. 1′ = 1.926 and 1.937 Å; the mean value 1.934 Å was used in the calculation.)
11. Cremer, D.; Pople, J. A. J. Am. Chem. Soc. 1975, 97, 1354.
12. 2 defines a sphere of conformations in which the polar points (Θ = 0 or 180°) correspond to chair (C) conformations, while the positions on the equator (Θ = 90°) correspond to boat conformations. For phase angles φ = n30° (n = integer), the latter have either "pure" boat (B; n = even) or twist-boat (T; n = odd) conformations. Screw-boat (S) conformations are located at Θ = 90 ± 22.5°, φ = 30° (n = odd). Therefore, for 3 the closest ideal T and S conformations are located at Θ = 90.0°, φ = 150.0° and Θ = 112.5°, φ = 150.0°, respectively. For more details see refs 9 and 11.
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15. To convert 4 into 3, it would be necessary (a) to break the Ru-(2)-C(1c) bond, (b) to rotate about the Ru(3)-C(1a) bond the fragment bonded to Ru(3) (so that C(31) changes from axial to equatorial and C(32) from equatorial to axial), and (c) to make a Ru(2)-C(3c) bond.
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21. MSC/AFC Diffractometer Control Software; Molecular Structure Corp., The Woodlands, TX, 1993.
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