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2001 (1)
1Author    Hans Bock, Erik Heigel, Zdenek Havlas3Requires cookie*
 Title    Wechselwirkungen in Molekülkristallen, 175 [1, 2]. Kristallzüchtung und Strukturbestimmung von {Cäsium-tetraphenylimido- diphosphatj-Aggregaten mit unterschiedlicher lipophiler Umhüllung durch verschiedenartig Methyl-substituierte Phenylringe sowie relativistische DFT-Modellberechnungen zu Cäsium/Cäsium-Wechselwirkungen Interaction in M olecular Crystals, 175 [1,2]. Crystal Growth and Structure Determination of {Cesium-tetraphenylimidodiphosphate} Aggregates with Differing Lipophilic Wrapping Due to Differently Methyl-Substituted Phenyl Rings, and Relativistic DFT-Model Calculations of Cesium/Cesium Interactions  
 Abstract    In alkali-tetraphenylimidodiphosphate ion aggregates, the size of the cation determines the curvature of the ligand and, therefore, whether hexameric ellipsoidal clusters or polymeric chains are formed. To further characterize the ligand spatial requirements, the phenyl rings have been methylsubstituted in 4-, 3/5-, 3/4-or 2,3-positions, their conformations structurally analyzed and correlated with the van der Waals substituent profiles. In addition, relativistic density functional theory potential curves have been calculated for the Cs0 --Cs® interactions in simplified model systems. 
  Reference    Z. Naturforsch. 56b, 483—511 (2001); eingegangen am 21. Dezember 2000 
  Published    2001 
  Keywords    Cesium Tetraphenylimidodiphosphates, Methyl Substitution Effects, Polyion Aggregates, Crystal Structures 
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 TEI-XML for    default:Reihe_B/56/ZNB-2001-56b-0483.pdf 
 Identifier    ZNB-2001-56b-0483 
 Volume    56