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Cucurbituril complexes in the gas phase

Cucurbituril complexes in the gas phase. Cátia Carvalho (UHU/UALG) José Paulo da Silva (UAlg) Uwe Pischel (UHU). RISE Meeting Faro, 13 Dezember 2010. What is a cucurbituril ?. O. O. N. N. +. +. N. N. What is an inclusion complex ?.

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Cucurbituril complexes in the gas phase

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  1. Cucurbituril complexes in the gas phase Cátia Carvalho (UHU/UALG) José Paulo da Silva (UAlg) Uwe Pischel (UHU) RISE Meeting Faro, 13 Dezember 2010

  2. What is a cucurbituril ?

  3. O O N N + + N N What is an inclusion complex ? Cucurbiturils form inclusion complexes with several cationic and neutral molecules +

  4. Consequences of the formation of complexes and their applications • The guest is removed from the solution and is in a new environment. • This allows for their uses as: • Vehicles for drug delivery • Containers for gas storage • Deaggregators of dyes • Light-driven molecular switches, sensors, and motors • Containers for carrying out selective reactions • …

  5. Studied guests

  6. Mass spectrum of CB8 alone Na+ Na+ m/z 687 Na+ Na+ relative abundance m/z 1351 Na+ m/z 2016 (1328 + 2x23)/ 2 = 687 (3x1328 + 2x23)/ 2 = 2016 1328 + 23 = 1351 (CB[8] + 2xNa)2+ (CB[8] + Na)+ (3xCB[8] + 2xNa)2+ m/z

  7. Mass spectrum of CB8 with a dicationic species (1328 + 214)/ 2 = 771 (CB[8] + Guest)2+

  8. Mass spectrum of CB8 with a single charged species + m/z 935 Na+ n =1or2 Na+ Na+ Na+ Na+ relative abundance m/z 783 Na+ m/z 1036 Na+ m/z 214 m/z 687 n =1or2 m/z

  9. m/z 935 is a trimer

  10. How can we be so sure ? Na+ Na+ MS4 Na+ MS3 MS2 Na+ -1 -1 -1 Na+ Na+ Na+ Na+ m/z 2016 m/z 1115 m/z 1415 m/z 1115 m/z 935 m/z 1415 relative abundance 1 1 m/z 214 m/z 214 m/z m/z m/z

  11. What’s next ? Octa acid 1728

  12. Thank you

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