Calixarenes as hosts for ammonium cations: A quantum chemical study and mass-spectrometric investigations

Rozhenko AB, Schoeller W, Letzel M, Decker B, Agena C, Mattay J (2006)
Chemistry. A European Journal 12(35): 8995-9000.

Zeitschriftenaufsatz | Veröffentlicht | Englisch
 
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Abstract / Bemerkung
Host-guest complexes of tetramethylcavitand with different ammonium cations were investigated by using a quantum chemical method at the density func tional level (BP86, B3LYP). The NH4+ cation is strongly bound to the host. Increasing creasing methyl substitution at the cation decreases its inclination towards the complex formation. The calculated data are in line with results from electrospray ionization mass spectrometry (ESI-MS) experiments. They reveal stable aggregates only for the NH4+ cation and for the primary alkylammonium cations.
Stichworte
density functional calculations; mass spectrometry; host-guest systems; cavitands; ammonium cations
Erscheinungsjahr
2006
Zeitschriftentitel
Chemistry. A European Journal
Band
12
Ausgabe
35
Seite(n)
8995-9000
ISSN
0947-6539
eISSN
1521-3765
Page URI
https://pub.uni-bielefeld.de/record/1596638

Zitieren

Rozhenko AB, Schoeller W, Letzel M, Decker B, Agena C, Mattay J. Calixarenes as hosts for ammonium cations: A quantum chemical study and mass-spectrometric investigations. Chemistry. A European Journal. 2006;12(35):8995-9000.
Rozhenko, A. B., Schoeller, W., Letzel, M., Decker, B., Agena, C., & Mattay, J. (2006). Calixarenes as hosts for ammonium cations: A quantum chemical study and mass-spectrometric investigations. Chemistry. A European Journal, 12(35), 8995-9000. doi:10.1002/chem.200501520
Rozhenko, A. B., Schoeller, W., Letzel, M., Decker, B., Agena, C., and Mattay, J. (2006). Calixarenes as hosts for ammonium cations: A quantum chemical study and mass-spectrometric investigations. Chemistry. A European Journal 12, 8995-9000.
Rozhenko, A.B., et al., 2006. Calixarenes as hosts for ammonium cations: A quantum chemical study and mass-spectrometric investigations. Chemistry. A European Journal, 12(35), p 8995-9000.
A.B. Rozhenko, et al., “Calixarenes as hosts for ammonium cations: A quantum chemical study and mass-spectrometric investigations”, Chemistry. A European Journal, vol. 12, 2006, pp. 8995-9000.
Rozhenko, A.B., Schoeller, W., Letzel, M., Decker, B., Agena, C., Mattay, J.: Calixarenes as hosts for ammonium cations: A quantum chemical study and mass-spectrometric investigations. Chemistry. A European Journal. 12, 8995-9000 (2006).
Rozhenko, Alexander B., Schoeller, Wolfgang, Letzel, Matthias, Decker, Björn, Agena, Ceno, and Mattay, Jochen. “Calixarenes as hosts for ammonium cations: A quantum chemical study and mass-spectrometric investigations”. Chemistry. A European Journal 12.35 (2006): 8995-9000.

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