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    STUDIA CHEMIA - Issue no. 2 / 2006  
         
  Article:   MOLECULAR PACKING OF SOME CAROTENOIDS IN LANGMUIR MONOLAYERS AT THE AIR/WATER INTERFACE.

Authors:  OSSI HOROVITZ, MARIA TOMOAIA-COTISEL. 		 
       
         
  Abstract:  The characteristic molecular areas were determined from surface pressure versus molecular area isotherms of three carotenoids: β,β-carotene-4-one (echinenone, ECH), β,β-carotene-4,4’-dione (canthaxanthin, CAN) and 4,4’-diapo-ψ,ψ-carotene-4,4’-dial (APO), spread and compressed as Langmuir monolayers at the air/water interface. Quantum chemical semi-empirical SCF MO calculations (AM1 and PM3) are performed for the optimized geometries of carotenoid molecules and similar theoretical results are obtained by both methods. The characteristic surface molecular areas are discussed in terms of molecular packing in Langmuir monolayers and intermolecular interactions, respectively. The orientation of these carotenoid molecules in the Langmuir monolayers is discussed by using a rotating rigid plate model and optimized molecular geometries.  
         
     
         
         
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