Interactions and binding energies of dimethyl methylphosphonate and dimethyl chlorophosphate with amorphous silica

Langmuir

Volumn 28, Issue 30, 2012, Pages 10962-10967

  Wilmsmeyer, Amanda R ^a   Uzarski, Joshua ^b   Barrie, Patrick J ^c   Morris, John R ^a  

^a VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY   (United States)

^b DEVELOPMENT AND ENGINEERING CENTER   (United States)

^c UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION STRENGTH; AMORPHOUS SILICA; DIMETHYL METHYLPHOSPHONATE; ISOLATED SILANOLS; PHOSPHORYL OXYGEN;

ACTIVATION ENERGY; ADSORPTION; BINDING ENERGY; ESTERS; HYDROGEN BONDS; INFRARED SPECTROSCOPY; TEMPERATURE PROGRAMMED DESORPTION;

SILICA;

EID: 84864493033     PISSN: 07437463     EISSN: 15205827     Source Type: Journal    
DOI: 10.1021/la301938f     Document Type: Article

References (23)

1. Kim, K.; Tsay, O. G.; Atwood, D. A.; Churchill, D. G. Destruction and Detection of Chemical Warfare Agents Chem. Rev. 2011, 111, 5345-5403
2. 2 J. Phys. Chem. 1986, 90, 4607-4611
3. Kanan, S. M.; Tripp, C. P. An Infrared Study of Adsorbed Organophosphonates on Silica: A Prefiltering Strategy for the Detection of Nerve Agents on Metal Oxide Sensors Langmuir 2001, 17, 2213-2218
4. 2 J. Phys. Chem. C 2007, 111, 9314-9323
5. Quenneville, J.; Taylor, R. S.; van Duin, A. C.T. Reactive Molecular Dynamics Studies of DMMP Adsorption and Reactivity on Amorphous Silica Surfaces J. Phys. Chem. C 2010, 114, 18894-18902
6. Daly, S. M.; Grassi, M.; Shenoy, D. K.; Ugozzoli, F.; Dalcanale, E. Supramolecular Surface Plasmon Resonance (SPR) Sensors for Organophosphorus Vapor Detection J. Mater. Chem. 2007, 17, 1809-1818
7. Yang, Y. C.; Baker, J. A.; Ward, J. R. Decontamination of Chemical Warfare Agents Chem. Rev. 1992, 92, 1729-1743
8. Zhuravlev, L. T. Concentration of Hydroxyl Groups on the Surface of Amorphous Silicas Langmuir 1987, 3, 316-318
9. Zhuravlev, L. T. The Surface Chemistry of Amorphous Silica. Zhuravlev Model Colloids Surf., A 2000, 173, 1-38
10. Tsubomura, H. Nature of the Hydrogen Bond. III. The Measurement of the Infrared Absorption Intensities of Free and Hydrogen-Bonded OH Bands. Theory of the Increase of the Intensity Due to the Hydrogen Bond J. Chem. Phys. 1956, 24, 927-931
11. Badger, R. M.; Bauer, S. H. Spectroscopic Studies of the Hydrogen Bond. II. The Shift of the O-H Vibrational Frequency in the Formation of the Hydrogen Bond J. Chem. Phys. 1937, 5, 839-851
12. 2 J. Phys. Chem. B 2000, 104, 12292-12298
13. Polanyi, M.; Wigner, E. Über die Interferenz von Eigenschwingungen als Urasche von Energieschwankungen und Chemischer Umsetzungen Z. Phys. Chem., Abt. A 1928, 139, 439-452
14. Tait, S. L.; Dohnálek, Z.; Campbell, C. T.; Kay, B. D. n -Alkanes on MgO(100). I. Coverage-Dependent Desorption Kinetics of n -Butane J. Chem. Phys. 2005, 122, 164707
15. Zubkov, T.; Smith, R. S.; Engstrom, T. R.; Kay, B. D. Adsorption, Desorption, and Diffusion of Nitrogen in a Model Nanoporous Material. I. Surface Limited Desorption Kinetics in Amorphous Solid Water J. Chem. Phys. 2007, 127, 184707
16. Zubkov, T.; Smith, R. S.; Engstrom, T. R.; Kay, B. D. Adsorption, Desorption, and Diffusion of Nitrogen in a Model Nanoporous Material. II. Diffusion Limited Kinetics in Amorphous Solid Water J. Chem. Phys. 2007, 127, 184708
17. Palmero, A.; Aldao, C. M. Readsorption and Diffusion-Limited TPD of Water from Zeolite Linde 4A Thermochim. Acta 1998, 319, 177-184
18. Palmero, A.; Loffler, D. G. Kinetics of Water Desorption from Pelletized 4A and 5A Zeolites Thermochim. Acta 1990, 159, 171-176
19. Gorte, R. J. Design Parameters for Temperature Programmed Desorption from Porous Catalysts J. Catal. 1982, 75, 164-174
20. 2 on a Multiply Promoted Iron Catalyst Used for Ammonia Synthesis: A Temperature Programmed Desorption Study Catal. Lett. 1994, 24, 317-331
21. Rieck, J. S.; Bell, A. T. Influence of Adsorption and Mass Transfer Effects on Temperature-Programmed Desorption from Porous Catalysts J. Catal. 1984, 85, 143-153
22. Kanervo, J. M.; Keskitalo, T. J.; Slioor, R. I.; Krause, A. O. I. Temperature-Programmed Desorption as a Tool to Extract Quantitative Kinetic or Energetic Information for Porous Catalysts J. Catal. 2006, 238, 382-393
23. Taylor, D. E.; Runge, K.; Cory, M. G.; Burns, D. S.; Vasey, J. L.; Hearn, J. D.; Henley, M. V. Binding of Small Molecules to a Silica Surface: Comparing Experimental and Theoretical Results J. Phys. Chem. C 2011, 115, 24734-24742