Monitoring Water Clusters "melt" Through Vibrational Spectroscopy

Journal of the American Chemical Society

Volumn 139, Issue 20, 2017, Pages 7082-7088

  Brown, Sandra E ^a   Götz, Andreas W ^b   Cheng, Xiaolu ^c   Steele, Ryan P ^c   Mandelshtam, Vladimir A ^d   Paesani, Francesco ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c UNIVERSITY OF UTAH   (United States)

^d UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN BONDS; PLANTS (BOTANY); POTENTIAL ENERGY; QUANTUM CHEMISTRY; QUANTUM ELECTRONICS; SPECTROSCOPIC ANALYSIS; TEMPERATURE; WETTING;

AMBIENT CONDITIONS; MOLECULAR LEVELS; MULTIPHASE PROCESS; NUCLEAR QUANTUM EFFECTS; QUANTUM SIMULATIONS; STATE OF THE ART; STRUCTURAL ORDER PARAMETER; VERY LOW TEMPERATURES;

ISOMERS;

WATER;

ACCURACY; ARTICLE; BODY WATER; ENERGY; EXPERIMENTAL STUDY; HYDROGEN BOND; ISOMER; LOW TEMPERATURE; MELTING POINT; QUANTITATIVE ANALYSIS; SIMULATION; SPECTROSCOPY; SURFACE PROPERTY; TEMPERATURE DEPENDENCE; THEORETICAL STUDY; VIBRATION; VIBRATIONAL SPECTROSCOPY;

EID: 85019636864     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/jacs.7b03143     Document Type: Article

References (61)

1. Pribble, R. N.; Zwier, T. S. Science 1994, 265, 75-79 10.1126/science.265.5168.75
2. Liu, K.; Brown, M. G.; Carter, C.; Saykally, R. J.; Gregory, J. K.; Clary, D. C. Nature 1996, 381, 501-503 10.1038/381501a0
3. Gruenloh, C. J.; Carney, J. R.; Arrington, C. A.; Zwier, T. S.; Fredericks, S. Y.; Jordan, K. D. Science 1997, 276, 1678-1681 10.1126/science.276.5319.1678
4. Nauta, K.; Miller, R. E. Science 2000, 287, 293-295 10.1126/science.287.5451.293
5. Keutsch, F. N.; Saykally, R. J. Proc. Natl. Acad. Sci. U. S. A. 2001, 98, 10533-10540 10.1073/pnas.191266498
6. Diken, E. G.; Robertson, W. H.; Johnson, M. A. J. Phys. Chem. A 2004, 108, 64-68 10.1021/jp0309973
7. Steinbach, C.; Andersson, P.; Melzer, M.; Kazimirski, J. K.; Buck, U.; Buch, V. Phys. Chem. Chem. Phys. 2004, 6, 3320-3324 10.1039/b400664j
8. Tabor, D. P.; Kusaka, R.; Walsh, P. S.; Sibert, E. L.; Zwier, T. S. J. Phys. Chem. Lett. 2015, 6, 1989-1995 10.1021/acs.jpclett.5b00786
9. Schwan, R.; Kaufmann, M.; Leicht, D.; Schwaab, G.; Havenith, M. Phys. Chem. Chem. Phys. 2016, 18, 24063-24069 10.1039/C6CP04333J
10. Cole, W. T. S.; Farrell, J. D.; Wales, D. J.; Saykally, R. J. Science 2016, 352, 1194-1197 10.1126/science.aad8625
11. Douberly, G. E.; Miller, R. E.; Xantheas, S. S. J. Am. Chem. Soc. 2017, 139, 4152-4156 10.1021/jacs.7b00510
12. Bakker, H. J.; Skinner, J. L. Chem. Rev. 2010, 110, 1498-1517 10.1021/cr9001879
13. Perakis, F.; De Marco, L.; Shalit, A.; Tang, F.; Kann, Z. R.; Kühne, T. D.; Torre, R.; Bonn, M.; Nagata, Y. Chem. Rev. 2016, 116, 7590-7607 10.1021/acs.chemrev.5b00640
14. Wei, X.; Miranda, P. B.; Shen, Y. R. Phys. Rev. Lett. 2001, 86, 1554-1557 10.1103/PhysRevLett.86.1554
15. Groenzin, H.; Li, I.; Buch, V.; Shultz, M. J. J. Chem. Phys. 2007, 127, 214502 10.1063/1.2801642
16. Li Barnett, I.; Groenzin, H.; Shultz, M. J. J. Phys. Chem. A 2011, 115, 6039-6045 10.1021/jp110431j
17. Perakis, F.; Widmer, S.; Hamm, P. J. Chem. Phys. 2011, 134, 204505 10.1063/1.3592561
18. Perakis, F.; Borek, J. A.; Hamm, P. J. Chem. Phys. 2013, 139, 014501 10.1063/1.4812216
19. Pradzynski, C. C.; Forck, R. M.; Zeuch, T.; Slavíček, P.; Buck, U. Science 2012, 337, 1529-1532 10.1126/science.1225468
20. Shalit, A.; Perakis, F.; Hamm, P. J. Phys. Chem. B 2013, 117, 15512-15518 10.1021/jp4053743
21. Wolke, C. T.; Menges, F. S.; Tötsch, N.; Gorlova, O.; Fournier, J. A.; Weddle, G. H.; Johnson, M. A.; Heine, N.; Esser, T. K.; Knorke, H.; Asmis, K. R.; McCoy, A. B.; Arismendi-Arrieta, D. J.; Prosmiti, R.; Paesani, F. J. Phys. Chem. A 2015, 119, 1859-1866 10.1021/jp510250n
22. Rodriguez, J.; Laria, D.; Marceca, E. J.; Estrin, D. A. J. Chem. Phys. 1999, 110, 9039-9047 10.1063/1.478824
23. Tharrington, A. N.; Jordan, K. D. J. Phys. Chem. A 2003, 107, 7380-7389 10.1021/jp030355f
24. Frantsuzov, P. A.; Mandelshtam, V. A. J. Chem. Phys. 2008, 128, 094304 10.1063/1.2833004
25. Tainter, C. J.; Skinner, J. L. J. Chem. Phys. 2012, 137, 104304 10.1063/1.4746157
26. Bukowski, R.; Szalewicz, K.; Groenenboom, G. C.; van der Avoird, A. Science 2007, 315, 1249-1252 10.1126/science.1136371
27. Bukowski, R.; Szalewicz, K.; Groenenboom, G. C.; van der Avoird, A. J. Chem. Phys. 2008, 128, 094313 10.1063/1.2832746
28. Bukowski, R.; Szalewicz, K.; Groenenboom, G. C.; van der Avoird, A. J. Chem. Phys. 2008, 128, 094314 10.1063/1.2832858
29. Wang, Y.; Shepler, B. C.; Braams, B. J.; Bowman, J. M. J. Chem. Phys. 2009, 131, 054511 10.1063/1.3196178
30. Wang, Y.; Huang, X.; Shepler, B. C.; Braams, B. J.; Bowman, J. M. J. Chem. Phys. 2011, 134, 094509 10.1063/1.3554905
31. Wang, Y.; Bowman, J. M. J. Chem. Phys. 2011, 134, 154510 10.1063/1.3579995
32. Babin, V.; Medders, G. R.; Paesani, F. J. Phys. Chem. Lett. 2012, 3, 3765-3769 10.1021/jz3017733
33. Medders, G. R.; Babin, V.; Paesani, F. J. Chem. Theory Comput. 2013, 9, 1103-1114 10.1021/ct300913g
34. Babin, V.; Leforestier, C.; Paesani, F. J. Chem. Theory Comput. 2013, 9, 5395-5403 10.1021/ct400863t
35. Babin, V.; Medders, G. R.; Paesani, F. J. Chem. Theory Comput. 2014, 10, 1599-1607 10.1021/ct500079y
36. Medders, G. R.; Babin, V.; Paesani, F. J. Chem. Theory Comput. 2014, 10, 2906-2910 10.1021/ct5004115
37. Cisneros, G. A.; Wikfeldt, K. T.; Ojamäe, L.; Lu, J.; Xu, Y.; Torabifard, H.; Bartók, A. P.; Csányi, G.; Molinero, V.; Paesani, F. Chem. Rev. 2016, 116, 7501-7528 10.1021/acs.chemrev.5b00644
38. Leforestier, C. Philos. Trans. R. Soc., A 2012, 370, 2675-2690 10.1098/rsta.2011.0187
39. Jankowski, P.; Murdachaew, G.; Bukowski, R.; Akin-Ojo, O.; Leforestier, C.; Szalewicz, K. J. Phys. Chem. A 2015, 119, 2940-2964 10.1021/jp512847z
40. Wang, Y.; Babin, V.; Bowman, J. M.; Paesani, F. J. Am. Chem. Soc. 2012, 134, 11116-11119 10.1021/ja304528m
41. Babin, V.; Paesani, F. Chem. Phys. Lett. 2013, 580, 1-8 10.1016/j.cplett.2013.06.041
42. Mallory, J. D.; Mandelshtam, V. A. J. Chem. Phys. 2016, 145, 064308 10.1063/1.4960610
43. Wang, Y.; Bowman, J. M. J. Chem. Phys. 2012, 136, 144113 10.1063/1.3700165
44. Wang, Y.; Bowman, J. M. J. Phys. Chem. Lett. 2013, 4, 1104-1108 10.1021/jz400414a
45. Reddy, S. K.; Straight, S. C.; Bajaj, P.; Pham, C. H.; Riera, M.; Moberg, D. R.; Morales, M. A.; Knight, C.; Götz, A. W.; Paesani, F. J. Chem. Phys. 2016, 145, 194504 10.1063/1.4967719
46. Medders, G. R.; Paesani, F. J. Chem. Theory Comput. 2015, 11, 1145-1154 10.1021/ct501131j
47. Medders, G. R.; Paesani, F. J. Am. Chem. Soc. 2016, 138, 3912-3919 10.1021/jacs.6b00893
48. Pham, C. H.; Reddy, S. K.; Chen, K.; Knight, C.; Paesani, F. J. Chem. Theory Comput. 2017, 13, 1778-1784 10.1021/acs.jctc.6b01248
49. Paesani, F. Acc. Chem. Res. 2016, 49, 1844-1851 10.1021/acs.accounts.6b00285
50. Fritz, M.; Fernández-Serra, M.; Soler, J. M. J. Chem. Phys. 2016, 144, 224101 10.1063/1.4953081
51. Richardson, J. O.; Pérez, C.; Lobsiger, S.; Reid, A. A.; Temelso, B.; Shields, G. C.; Kisiel, Z.; Wales, D. J.; Pate, B. H.; Althorpe, S. C. Science 2016, 351, 1310-1313 10.1126/science.aae0012
52. Saykally, R. J.; Wales, D. J. Science 2012, 336, 814-815 10.1126/science.1222007
53. Carlon, H. R. J. Appl. Phys. 1981, 52, 3111-3115 10.1063/1.329174
54. Pérez, C.; Muckle, M. T.; Zaleski, D. P.; Seifert, N. A.; Temelso, B.; Shields, G. C.; Kisiel, Z.; Pate, B. H. Science 2012, 336, 897-901 10.1126/science.1220574
55. Bates, D. M.; Tschumper, G. S. J. Phys. Chem. A 2009, 113, 3555-3559 10.1021/jp8105919
56. Foley, J. J.; Mazziotti, D. A. J. Phys. Chem. A 2013, 117, 6712-6716 10.1021/jp405739d
57. Evangelisti, L.; Shields, G. C.; Temelso, B.; Kisiel, Z.; Pate, B.; Zaleski, D. P.; Seifert, N. A.; Lobsiger, S.; Perez, C. Deuterated Water Hexamer Observed by Chirped-Pulse Rotational Spectroscopy. Proceedings of the 69th International Symposium on Molecular Spectroscopy; International Symposium on Molecular Spectroscopy: Urbana-Champaign, IL, June 16-20, 2014.
58. Cheng, X.; Steele, R. P. J. Chem. Phys. 2014, 141, 104105 10.1063/1.4894507
59. Cheng, X.; Talbot, J. J.; Steele, R. P. J. Chem. Phys. 2016, 145, 124112 10.1063/1.4963109
60. Steinhardt, P. J.; Nelson, D. R.; Ronchetti, M. Phys. Rev. Lett. 1981, 47, 1297-1300 10.1103/PhysRevLett.47.1297
61. Brown, S. E.; Georgescu, I.; Mandelshtam, V. A. J. Chem. Phys. 2013, 138, 044317 10.1063/1.4788977