Functionalized fullerenes in water: A closer look

Environmental Science and Technology

Volumn 49, Issue 4, 2015, Pages 2147-2155

  Snow, Samuel D ^a   Kim, Ki Chul ^a   Moor, Kyle J ^b   Jang, Seung Soon ^a   Kim, Jae Hong ^a,b  

^a Georgia Institute of Technology   (United States)

^b Yale University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AGGLOMERATION; AGGREGATES; MOLECULAR DYNAMICS; MOLECULAR INTERACTIONS; MOLECULAR OXYGEN; MOLECULAR STRUCTURE;

AQUEOUS APPLICATIONS; CHEMICAL CHARACTERIZATION; ENVIRONMENTAL APPLICATIONS; FULLERENE MOLECULES; FUNCTIONALIZATIONS; MOLECULAR PHENOMENA; PHOTOPHYSICAL PROPERTIES; SPONTANEOUS AGGREGATION;

FULLERENES;

FULLERENE DERIVATIVE; OXYGEN; WATER; FULLERENE C60;

AGGREGATION; AQUEOUS SOLUTION; FULLERENE; MOLECULAR ANALYSIS; PHOTOCHEMISTRY; SIMULATION; WATER QUALITY;

ARTICLE; CHEMICAL BOND; CRYSTAL STRUCTURE; FOURIER TRANSFORM INFRARED PHOTOACOUSTIC SPECTROSCOPY; HYDROPHILICITY; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PHOTOCHEMISTRY; PHOTOLYSIS; PHYSICAL CHEMISTRY; SENSITIZATION; ULTRAVIOLET RADIATION; CHEMICAL STRUCTURE; CHEMISTRY; INFRARED SPECTROSCOPY; KINETICS; LASER; PROCEDURES; RAMAN SPECTROMETRY; TRANSMISSION ELECTRON MICROSCOPY; X RAY PHOTOELECTRON SPECTROSCOPY;

FULLERENES; KINETICS; LASERS; MICROSCOPY, ELECTRON, TRANSMISSION; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; OXYGEN; PHOTOCHEMISTRY; PHOTOELECTRON SPECTROSCOPY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; WATER;

EID: 84923115568     PISSN: 0013936X     EISSN: 15205851     Source Type: Journal    
DOI: 10.1021/es504735h     Document Type: Article

References (58)

1. Brabec, C. J.; Sariciftci, N. S.; Hummelen, J. C. Plastic Solar Cells Adv. Funct. Mater. 2001, 11 (1) 15-26
2. Mayer, A. C.; Scully, S. R.; Hardin, B. E.; Rowell, M. W.; McGehee, M. D. Polymer-based solar cells Mater. Today 2007, 10 (11) 28-33
3. 60 J. Phys. Chem. 1991, 95 (1) 11-12
4. Ray, P. C.; Yu, H.; Fu, P. P. Toxicity and environmental risks of nanomaterials: Challenges and future needs J. Environ. Sci. Health, Part C: Environ. Carcinog. Ecotoxicol. Rev. 2009, 27 (1) 1-35
5. Wiesner, M. R.; Lowry, G. V.; Alvarez, P.; Dionysiou, D.; Biswas, P. Assessing the risks of manufactured nanomaterials Environ. Sci. Technol. 2006, 40 (14) 4336-4345
6. Hotze, E. M.; Bottero, J. Y.; Wiesner, M. R. Theoretical framework for nanoparticle reactivity as a function of aggregation state Langmuir 2010, 26 (13) 11170-11175
7. ow) and aqueous solubility Environ. Sci. Technol. 2008, 42 (16) 5945-5950
8. Badireddy, A. R.; Budarz, J. F.; Chellam, S.; Wiesner, M. R. Bacteriophage inactivation by UV-A illuminated fullerenes: Role of nanoparticle-virus association and biological targets Environ. Sci. Technol. 2012, 46 (11) 5963-5970
9. Snow, S. D.; Lee, J.; Kim, J. H. Photochemical and photophysical properties of sequentially functionalized fullerenes in the aqueous phase Environ. Sci. Technol. 2012, 46 (24) 13227-13234
10. Chae, S. R.; Badireddy, A. R.; Budarz, J. F.; Lin, S. H.; Xiao, Y.; Therezien, M.; Wiesner, M. R. Heterogeneities in fullerene nanoparticle aggregates affecting reactivity, bioactivity, and transport ACS Nano 2010, 4 (9) 5011-5018
11. 60 derivative: Kinetics and Mechanisms Environ. Sci. Technol. 2009, 43 (19) 7410-7415
12. 60: Kinetics and mechanisms Environ. Sci. Technol. 2011, 45 (22) 9627-33
13. 60 colloid formation in aqueous systems: Effects of preparation method on size, structure, and surface, charge Environ. Sci. Technol. 2008, 42 (1) 173-178
14. 60 in water: Nanocrystal formation and microbial response Environ. Sci. Technol. 2005, 39 (11) 4307-4316
15. 60 in the aqueous phase Environ. Sci. Technol. 2008, 42 (5) 1552-1557
16. 60 derivatives in aqueous systems Environ. Sci. Technol. 2009, 43 (17) 6604-6610
17. 60 Chem. Phys. Lett. 1991, 181 (6) 501-504
18. Sternlicht, H.; Nieman, G. C.; Robinson, G. W. Triplet-triplet annihilation and delayed fluorescence in molecular aggregates J. Chem. Phys. 1963, 38 (6) 1326
19. 60 in the aqueous phase by UV irradiation Environ. Sci. Technol. 2009, 43 (13) 4878-4883
20. Snow, S. D.; Park, K.; Kim, J.-H. Cationic fullerene aggregates with unprecedented virus photoinactivation efficiencies in water Environ. Sci. Technol. Lett. 2014, 1 (6) 290-294
21. CERIUS2 Modeling Environment, Release 4.0; Accelrys Inc., San Diego, CA, 1999.
22. Plimpton, S. Fast parallel algorithms for short-range molecular-dynamics J. Comput. Phys. 1995, 117 (1) 1-19
23. Jaguar, version 7.5; Schrödinger, LLC: New York, NY, 2008.
24. Mayo, S. L.; Olafson, B. D.; Goddard, W. A. DREIDING-A generic force-field for molecular simulations J. Phys. Chem. 1990, 94 (26) 8897-8909
25. Kaminski, G. A.; Stern, H. A.; Berne, B. J.; Friesner, R. A. Development of an accurate and robust polarizable molecular mechanics force field from ab initio quantum chemistry J. Phys. Chem. A 2004, 108 (4) 621-627
26. Getman, R. B.; Miller, J. H.; Wang, K.; Snurr, R. Q. Metal alkoxide functionalization in metal-organic frameworks for enhanced ambient-temperature hydrogen storage J. Phys. Chem. C 2011, 115 (5) 2066-2075
27. Yu, D.; Ghosh, P.; Snurr, R. Q. Hierarchical modeling of ammonia adsorption in functionalized metal-organic frameworks Dalton Trans. 2012, 41 (14) 3962-3973
28. 60 film Phys. Rev. 1997, 55 (15) 10051-10056
29. 60 under environmentally relevant conditions Environ. Sci. Technol. 2010, 44 (8) 3008-3013
30. 60 in aqueous systems: The nature of water-fullerene interactions Langmuir 2009, 25 (19) 11232-11235
31. 60 aggregates with ozone Environ. Sci. Technol. 2007, 41 (21) 7497-7502
32. Langley, L. A.; Villanueva, D. E.; Fairbrother, D. H. Quantification of surface oxides on carbonaceous materials Chem. Mater. 2006, 18 (1) 169-178
33. 60 nanoparticles to nanoparticle charge and electrokinetic properties Environ. Sci. Technol. 2009, 43 (19) 7270-7276
34. 60 Environ. Sci. Technol. 2012, 47 (13) 6935-6942
35. 60 colloidal suspensions Environ. Sci. Technol. 2012, 46 (14) 7446-7453
36. 60-A new form of carbon Nature 1990, 347 (6291) 354-358
37. 60 nanoparticles in water solution and on the support Eur. Phys. J. D 1999, 9 (1-4) 341-343
38. Wang, J.; Leng, J.; Yang, H.; Sha, G.; Zhang, C. Long-lifetime and asymmetric singlet oxygen photoluminescence from aqueous fullerene suspensions Langmuir 2013, 29 (29) 9051-6
39. Rice, S. Conjectures on the structure of amorphous solid and liquid water. In Top. Curr. Chem.; Springer: Berlin/Heidelberg, 1975; Vol. 60, pp 109-200.
40. Deak, J. C.; Rhea, S. T.; Iwaki, L. K.; Dlott, D. D. Vibrational energy relaxation and spectral diffusion in water and deuterated water J. Phys. Chem. A 2000, 104 (21) 4866-4875
41. Amer, M. S.; Wang, W. H. Effect of fullerene nanospheres on water evaporation kinetics and first-order thermal transitions J. Phys. Chem. C 2012, 116 (14) 8216-8222
42. 60 J. Chem. Phys. 2006, 125 (3) 34502
43. 60: A molecular dynamics simulation study J. Phys. Chem. C 2007, 111 (6) 2565-2572
44. 60 spheres J. Phys. Chem. B 2005, 109 (39) 18600-18608
45. Weiss, D. R.; Raschke, T. M.; Levitt, M. How hydrophobic buckminsterfullerene affects surrounding water structure J. Phys. Chem. B 2008, 112 (10) 2981-90
46. Schmidt, R. Photosensitized generation of singlet oxygen Photochem. Photobiol. 2006, 82 (5) 1161-1177
47. -) formation on sensitizer triplet state energy and oxidation potential J. Phys. Chem. A 2003, 107 (13) 2192-2198
48. Mehrdad, Z.; Noll, A.; Grabner, E. W.; Schmidt, R. Sensitization of singlet oxygen via encounter complexes and via exciplexes of π π∗ triplet excited sensitizers and oxygen Photochem. Photobiol. Sci. 2002, 1 (4) 263-269
49. Mcgarvey, D. J.; Szekeres, P. G.; Wilkinson, F. The efficiency of singlet oxygen generation by substituted naphthalenes in benzene-Evidence for the participation of charge-transfer interactions Chem. Phys. Lett. 1992, 199 (3-4) 314-319
50. Wilkinson, F.; AbdelShafi, A. A. Mechanism of quenching of triplet states by oxygen: Biphenyl derivatives in acetonitrile J. Phys. Chem. A 1997, 101 (30) 5509-5516
51. Abdel-Shafi, A. A.; Wilkinson, F. Charge transfer effects on the efficiency of singlet oxygen production following oxygen quenching of excited singlet and triplet states of aromatic hydrocarbons in acetonitrile J. Phys. Chem. A 2000, 104 (24) 5747-5757
52. Abdel-Shafi, A. A.; Wilkinson, F. Electronic to vibrational energy conversion and charge transfer contributions during quenching by molecular oxygen of electronically excited triplet states Phys. Chem. Chem. Phys. 2002, 4 (2) 248-254
53. Schmidt, R. The effect of solvent polarity on the balance between charge transfer and non-charge transfer pathways in the sensitization of singlet oxygen by π-π triplet states J. Phys. Chem. A 2006, 110 (18) 5990-5997
54. Wilkinson, F.; Mcgarvey, D. J.; Olea, A. F. Factors governing the efficiency of singlet oxygen production during oxygen quenching of singlet and triplet-states of anthracene-derivatives in cyclohexane solution J. Am. Chem. Soc. 1993, 115 (25) 12144-12151
55. 5-) ions in solution J. Am. Chem. Soc. 1991, 113 (20) 7773-7774
56. Danilov, O. B.; Belousova, I. M.; Mak, A. A.; Belousov, V. P.; Grenishin, A. S.; Kiselev, V. M.; Kris'ko, A. V.; Ponomarev, A. N.; Sosnov, E. N. Generation of singlet oxygen with the use of optically excited fullerenes and fullerene-like nanoparticles Opt. Spectrosc. 2003, 95 (6) 833-842
57. Fukuzumi, S.; Imahori, H.; Yamada, H.; El-Khouly, M. E.; Fujitsuka, M.; Ito, O.; Guldi, D. M. Catalytic effects of dioxygen on intramolecular electron transfer in radical ion pairs of zinc porphyrin-linked fullerenes J. Am. Chem. Soc. 2001, 123 (11) 2571-2575
58. Dolotova, E.; Dogadkin, D.; Soboleva, I.; Kuzmin, M.; Nicolet, O.; Vauthey, E. Lifetimes of partial charge transfer exciplexes of 9-cyanophenanthrene and 9-cyanoanthracene Chem. Phys. Lett. 2003, 380 (5-6) 729-735