SYNTHESIS AND CRYSTAL-STRUCTURE OF THE UNIQUE CHIRAL ANION [RE(2)CL(7)PBZMEPB](-) AND THE DIRECT DETERMINATION OF ITS DELTA-BOND ENERGY BY MOLECULAR MODELING

Patrick Mcardle

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Abstract

The quadruply bonded chiral anion [Re(2)Cl(2)PBzMePh](-) (Bz=CH(2)Ph) was synthesized and its crystal structure was determined. It crystallized in space group P (1) over bar with unit cell dimensions a=10.677(2), b=12.220(2), c=18.220(4) Angstrom, alpha=85.66(2, beta=75.98(2) and gamma= 80.07(2)degrees. The Re-Re distance was 2.2196(8) Angstrom. The average twist angle chi was 11.6 degrees. The delta-bond energy was determined by molecular modelling to be 9 kcal mol(-1) and 5% greater than the energy required to eclipse [Re2Cl8](2-).
Original languageEnglish (Ireland)
Number of pages6
JournalInorganica Chimica Acta
Volume229
Publication statusPublished - 1 Feb 1995

Authors (Note for portal: view the doc link for the full list of authors)

  • Authors
  • MCARDLE, P,RABBITTE, M,CUNNINGHAM, D

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