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'Photoelectron Spectroscopy' in keywords Facet   Publication Year 1994  [X]
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1Author    H. Bocka, J. M. Eureta, J. W. Bats3, Z. HavlasbRequires cookie*
 Title    Strukturen sterisch überfüllter Moleküle, 39 [1,2] Einkristall-und Gasphasen-Strukturen von l,4-Bis(trimethylsiloxy)benzol Structures of Sterically Overcrowded Molecules 39 [1,2] Single Crystal and Gas Phase Structures o f l,4-Bis(trimethylsiloxy)benzene  
 Abstract    l,4-Bis(trim ethylsiloxy)benzene has been crystallized both by vacuum sublimation and from «-heptane solution, which each yielded colourless plates with identical monoclinic unit cell dim ensions (P 2 Jn, Z = 4). The conform ation o f C[ symmetry shows the two (H 3C)3SiO-substituents to be conrotationally twisted around the 0 -(C 6H4) -0 axis by dihedral angles o f ± 60°. According to the photoelectron spectroscopic ionisation pattern and its K oopm ans' as­ signment, IEV" = -e f MI, by AM 1 eigenvalues, the gas phase structure should also be o f C, symmetry. The results o f geometry-optimized M N D O , A M I or P M 3 calculations for the monosubstituted derivative H 5C6-O S i(C H 3)3 are compared with respect to the quality o f their fit to the measured data. Ausgangspunkt: Molekülkonformationen sterisch überfüllter 1,4-Benzol-Derivate 
  Reference    Z. Naturforsch. 49b, 288—2 (1994); eingegangen am 1. Oktober 1993 
  Published    1994 
  Keywords    Sterically Overcrowded Organosilicon M olecules, Single Crystal Structure, Photoelectron Spectroscopy, Quantum Chemical Calculations 
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 TEI-XML for    default:Reihe_B/49/ZNB-1994-49b-0288.pdf 
 Identifier    ZNB-1994-49b-0288 
 Volume    49