Effects of the net charge on abundance and stability of supramolecular surfactant aggregates in gas phase

Journal of Mass Spectrometry

Volumn 46, Issue 2, 2011, Pages 195-201

  Bongiorno, David ^a   Ceraulo, Leopoldo ^a   Giorgi, Gianluca ^b   Indelicato, Serena ^a   Ferrugia, Mirella ^a   Ruggirello, Angela ^a   Liveri, Vincenzo Turco ^a  

^a UNIVERSITY OF PALERMO   (Italy)

^b UNIVERSITY OF SIENA   (Italy)

Author keywords

anhydrous reverse micelles; DFT calculations; electrospray ionization; energy resolved mass spectrometry; self assembling

Indexed keywords

ALKYL CHAIN; AMPHIPHILIC COMPOUND; AMPHIPHILIC MOLECULES; CONDENSED PHASE; COUNTERIONS; DENSITY FUNCTIONAL THEORY CALCULATIONS; DFT CALCULATIONS; ELECTROSTATIC INTERACTIONS; ENERGY-RESOLVED MASS SPECTROMETRY; EQUILIBRIUM CONDITIONS; ESI MASS SPECTROMETRY; GASPHASE; GROWTH PROCESS; HEAD GROUPS; NET CHARGES; REVERSE MICELLES; SELF-ASSEMBLING; SODIUM BIS(2-ETHYLHEXYL)SULFOSUCCINATE; SOLVENT INTERACTIONS; SURFACTANT AGGREGATES;

AGGLOMERATION; AGGREGATES; BUTANE; DENSITY FUNCTIONAL THEORY; IONIZATION OF GASES; MASS SPECTROMETRY; METHANE; MICELLES; SODIUM; SULFUR COMPOUNDS; SUPRAMOLECULAR CHEMISTRY; SURFACE ACTIVE AGENTS;

ELECTROSPRAY IONIZATION;

BUTANE SULFONIC ACID; OCTANE SULFONIC ACID; SODIUM BIS(2 ETHYLHEXYL)SULFOSUCCINIC ACID DERIVATIVE; SODIUM METHANE SULFONIC ACID; SULFONIC ACID DERIVATIVE; SURFACTANT; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; ELECTROSPRAY MASS SPECTROMETRY; ENERGY; GAS; PRIORITY JOURNAL; STATIC ELECTRICITY;

EID: 79951679772     PISSN: 10765174     EISSN: 10969888     Source Type: Journal    
DOI: 10.1002/jms.1872     Document Type: Article

References (19)

1. D. Bongiorno, L. Ceraulo, A. Ruggirello, V. Turco Liveri, E. Basso, R. Seraglia, P. Traldi,. Surfactant self-assembling in gas phase: electrospray ionization and matrix-assisted laser desorption/ionization-mass spectrometry of singly charged AOT clusters. J. Mass Spectrom. 2005, 40, 1618.
2. G. Giorgi, L. Ceraulo, V. Turco Liveri,. Surfactant self-assembly in the gas phase: bis(2-ethylhexyl)sulfosuccinate-alkaline metal ion aggregates. J. Phys. Chem. B 2008, 112, 1376.
3. G. Giorgi, E. Giocaliere, L. Ceraulo, A. Ruggirello, V. Turco Liveri,. Spatially ordered surfactant assemblies in the gas phase: negatively charged bis(2-ethylhexyl)sulfosuccinate-alkaline metal ion aggregates. Rapid Commun. Mass Spectrom. 2009, 23, 2206.
4. D. Bongiorno, L. Ceraulo, G. Giorgi, S. Indelicato, A. Ruggirello, V. Turco Liveri,. Supramolecular aggregates in vacuum: positively monocharged sodium alkanesulfonate clusters. Eur. J. Mass Spectrom. 2010, 16, 151.
5. M. G. Khaledi,. Micelles as separation media in high-performance liquid chromatography and high performance capillary electrophoresis: overview and perspective. J. Chromatogr. A 1997, 780, 3.
6. S. F. Boys, F. Bernardi,. The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors. Mol. Phys. 1970, 19, 553.
7. S. Simon, M. Duran, J. J. Dannenberg,. How does basis set superposition error change the potential surfaces for hydrogen bonded dimers? J. Chem. Phys. 1996, 105, 11024.
8. A. D. Becke,. Density-functional exchange-energy approximation with correct asymptotic behavior. Phys. Rev. A 1988, 38, 3098.
9. J. P. Perdew,. Density-functional approximation for the correlation energy of the inhomogeneous electron gas. Phys. Rev. B 1986, 33, 8822.
10. K. Eichkorn, O. Treutler, H. Ãhm, M. Häser, R. Ahlrichs,. Auxiliary basis sets for main row atoms and transition metals and their use to approximate coulomb potentials. Chem. Phys. Lett. 1995, 240, 283.
11. K. Eichkorn, F. Weigend, O. Treutler, R. Ahlrichs,. Auxiliary basis sets for main row atoms and transition metals and their use to approximate coulomb potentials. Theor. Chem. Acc. 1997, 97, 112.
12. N. Godbout, D. R. Salahub, J. Andzelm, E. Wimmer,. Optimization of gaussian-type basis sets for local spin density functional calculations. Part I. Boron through neon, optimization technique and validation. Can. J. Chem. 1992, 70, 560.
13. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, J. A. Pople,. Gaussian 03, Revision D.02, Gaussian, Inc., Wallingford, CT, 2004.
14. G. Longhi, S. L. Fornili, V. Turco Liveri, S. Abbate, D. Rebeccani, L. Ceraulo, F. Gangemi, Sodium bis(2-ethylhexyl)sulfosuccinate self-aggregation in vacuo: molecular dynamics simulation. Phys. Chem. Chem. Phys. 2010, 12, 4694.
15. L. L. Griffin, D. J. McAdoo,. The effect of ion size on rate of dissociation: RRKM calculations on model large polypeptide ions. J. Am. Soc. Mass Spectrom. 1993, 4, 11.
16. V. Gabelica, E. De Pauw,. Internal energy and fragmentation of ions produced in electrospray sources. Mass Spectrom. Rev. 2005, 24, 566.
17. A. K. Shulka, J. H. Futrell,. Collisional activation and dissociation of polyatomic ions. Mass Spectrom. Rev. 1993, 12, 211.
18. S. A. McLuckey,. Principles of collisional activation in analytical mass spectrometry. J. Am. Soc. Mass Spectrom. 1991, 3, 599.
19. A. K. Shulka, J. H. Futrell,. Tandem mass spectrometry: dissociation of ions by collisional activation. J. Mass Spectrom. 2000, 35, 1069.