Stabilization of HHeF by complexation: Is it a really viable strategy?

Chemistry - A European Journal

Volumn 16, Issue 21, 2010, Pages 6257-6264

  Giordani, Maria ^a   Antoniotti, Paola ^b   Grandinetti, Felice ^a  

^a UNIVERSITY OF TUSCIA   (Italy)

^b UNIVERSITY OF TURIN   (Italy)

Author keywords

Ab initio calculations; Fluorine; Helium; Noble gases; Structure property relationships

Indexed keywords

AB INITIO CALCULATIONS; ALKALI-METAL IONS; BLUESHIFTS; CCSD; COMPLEXATION ENERGY; COORDINATED COMPLEXES; INVERSE RELATIONSHIP; NOBLE GAS; RED SHIFT; STRETCHING MODES; STRUCTURAL EFFECT; STRUCTURE PROPERTY RELATIONSHIPS;

CALCULATIONS; CESIUM; DYES; FLUORINE; HELIUM; INERT GASES; LIGANDS; METAL IONS; STABILIZATION;

COMPLEXATION;

EID: 77952730002     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200903282     Document Type: Article

References (70)

1. K. O. Christe, Angew. Chem. 2001, 113, 1465-1467;
2. Angew. Chem. Int. Ed. 2001, 40, 1419-1421.
3. M. Pettersson, J. Lundell, M. Räsänen, Eur. J. Inorg. Chem. 1999, 729-737.
4. S. Seidel, K. Seppelt, Science 2000, 290, 117-118.
5. P. Pyykkö, Science 2000, 290, 64-65.
6. J. Li, B. E. Bursten, B. Liang, L. Andrews, Science 2002, 295, 2242-2245.
7. W. Grochala, Chem. Soc. Rev. 2007, 36, 1632-1655.
8. L. A. Muck, A. Y. Timoshkin, M. v. Hopffgarten, G. Frenking, J. Am. Chem. Soc. 2009, 131, 3942-3949.
9. J. Roithová, D. Schröder, Angew. Chem. 2009, 121, 8946-8948;
10. Angew. Chem. Int. Ed. 2009, 48, 8788-8790.
11. R. B. Gerber, Annu. Rev. Phys. Chem. 2004, 55, 55-78.
12. L. Khriachtchev, M. Räsänen, R. B. Gerber, Acc. Chem. Res. 2009, 42, 183-191, and references therein.
13. L. Khriachtchev, M. Pettersson, N. Runeberg, J. Lundell, M. Räsänen, Nature 2000, 406, 874-876.
14. G. Frenking, Nature 2000, 406, 836-837.
15. L. Khriachtchev, H. Tanskanen, J. Lundell, M. Pettersson, H. Kiljunen, M. Räsänen, J. Am. Chem. Soc. 2003, 125, 4696-4697.
16. L. Khriachtchev, K. Isokoski, A. Cohen, M. Räsänen, R. B. Gerber, J. Am. Chem. Soc. 2008, 130, 6114-6118.
17. E. Tsivion, R. B. Gerber, Chem. Phys. Lett. 2009, 482, 30-33.
18. M. W. Wong, J. Am. Chem. Soc. 2000, 122, 6289-6290.
19. J. Lundell, G. M. Chaban, R. B. Gerber, Chem. Phys. Lett. 2000, 331, 308-316.
20. G. M. Chaban, J. Lundell, R. B. Gerber, J. Chem. Phys. 2001, 115, 7341-7343.
21. T. Takayanagi, A. Wada, Chem. Phys. Lett. 2002, 352, 91-98.
22. Z. Bihary, G. M. Chaban, R. B. Gerber, J. Chem. Phys. 2002, 117, 5105-5108.
23. J. Panek, Z. Latajka, J. Lundell, Phys. Chem. Chem. Phys. 2002, 4, 2504-2510.
24. T. Takayanagi, Chem. Phys. Lett. 2003, 31, 675-680.
25. S. A. C. McDowell, Chem. Phys. Lett. 2004, 396, 346-349.
26. A. Lignell, L. Khriachtchev, M. Räsänen, M. Pettersson, Chem. Phys. Lett. 2004, 390, 256-260.
27. S. A. C. McDowell, Mol. Phys. 2004, 102, 71-77.
28. S. A. C. McDowell, J. Mol. Struct. 2004, 674, 227-232.
29. S. A. C. McDowell, J. Mol. Struct. 2005, 715, 73-77.
30. A. Lignell, L. Khriachtchev, J. Lundell, H. Tanskanen, M. Räsänen, J. Chem. Phys. 2006, 125, 184514-184516.
31. S. A. C. McDowell, Chem. Phys. Lett. 2003, 377, 143-148.
32. A. V. Nemukhin, B. L. Grigorenko, L. Khriachtchev, H. Tanskanen, M. Pettersson, M. Räsänen, J. Am. Chem. Soc. 2002, 124, 10706-10711.
33. S.-Y. Yen, C.-H. Mou, W.-P. Hu, Chem. Phys. Lett. 2004, 383, 606-611.
34. J.-T. Wang, Y. Feng, L. Liu, X.-S. Li, Q.-X. Guo, Chem. Lett. 2003, 32, 746-747.
35. At the MP2(full)/6-311++ G(2d,2p) level of theory, the linear M-X-H-He-F (M = Li, Na; X=F, Cl, Br) were characterized as higher-order saddle points. No hydrogen-bonded energy minima were located.
36. T. J. Lee, P. R. Taylor, Int. J. Quantum Chem. 1989, 36, 199-207.
37. M. T. Rodgers, P. B. Armentrout, Int. J. Mass Spectrom. 2007, 267, 167-182.
38. P. B. Armentrout, M. T. Rodgers, J. Phys. Chem. A 2000, 104, 2238-2247.
39. J. Srinivasa Rao, T. C. Dinadayalane, J. Leszczynski, G. Narahari Sastry, J. Phys. Chem. A 2008, 112, 12944-12953.
40. J.-F. Gal, P.-C. Maria, L. Massi, C. Mayeux, P. Burk, J. TammikuTaul, Int. J. Mass Spectrom. 2007, 267, 7-23.
41. K. E. Laidig, P. Speers, A. Streitwieser, Coord. Chem. Rev. 2000, 197, 125-139.
42. C. Cézard, B. Bouvier, V. Brenner, M. Defranceschi, P. Milli, J. M. Soudan, J. P. Dognon, J. Phys. Chem. B 2004, 108, 1497-1506.
43. A. M. El-Nahas, K. Hirao, J. Phys. Chem. A 2000, 104, 138-144.
44. T. B. McMahon, G. Ohanessian, Chem. Eur. J. 2000, 6, 2931-2941.
45. A. Corani, A. Domanskaya, L. Khriachtchev, M. Räsänen, A. Lignell, J. Phys. Chem. A 2009, 113, 10687-10692.
46. A. Lignell, J. Lundell, L. Khriachtchev, M. Räsänen, J. Phys. Chem. A 2008, 112, 5486-5494.
47. A. Lignell, L. Khriachtchev, M. Pettersson, M. Räsänen, J. Chem. Phys. 2003, 118, 11120-11128.
48. S. A. C. McDowell, Phys. Chem. Chem. Phys. 2003, 5, 808-811.
49. A. Lignell, L. Khriachtchev, J. Mol. Struct. 2008, 889, 1-11.
50. W. Koch, G. Frenking, J. Gauss, D. Cremer, J. R. Collins, J. Am. Chem. Soc. 1987, 109, 5917-5934.
51. Gaussian 03, Revision C.02, M. J. Frish, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzevski, 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. Hishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratman, 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. G. Johnson, W. Chen, M. W. Wong, C. Gonzalez, J. A. Pople, Gaussian, Inc., Wallingford, CT, 2004.
52. I. S. Lim, P. Schwerdtfeger, B. Metz, H. Stoll, J. Chem. Phys. 2005, 122, 104103-104115.
53. The pseudopotentials (ECP28MDF for rubidium and ECP46MDF for cesium) and the corresponding basis sets were downloaded from http://www.theochem.uni- stuttgart.de/pseudopotentials.
54. C. Møller, M. S. Plesset, Phys. Rev. 1934, 46, 618-622.
55. F. Weigend, R. Ahlrichs, Phys. Chem. Chem. Phys. 2005, 7, 3297-3305.
56. T. Leininger, A. Nicklass, W. Kuechle, H. Stoll, M. Dolg, A. Bergner, Chem. Phys. Lett. 1996, 255, 274-280.
57. C. Gonzalez, H. B. Schlegel, J. Phys. Chem. 1990, 94, 5523-5527.
58. K. Raghavachari, G. W. Trucks, J. A. Pople, M. Head-Gordon, Chem. Phys. Lett 1989, 157, 479-483.
59. NBO Version 3.1, E. D. Glendening, A. E. Reed, J. E. Carpenter, F. Weinhold, Theoretical Chemistry Institute, University of Wisconsin, Madison.
60. S. Boys, F. Bernardi, Mol. Phys. 1970, 19, 553-566.
61. R. F. W Bader, Atoms in Molecules: a Quantum Theory, Oxford University Press, Oxford, 1990.
62. AIM2000, F. Biegler-König, University of Applied Sciences, Bielefeld, http://www.AIM2000.de.
63. J. Cioslowski, S. T. Mixon, J. Am. Chem. Soc. 1992, 114, 4382-4387.
64. A. Haaland, D. J. Shorokhov, N. V. Tverdova, Chem. Eur. J. 2004, 10, 4416-4421.
65. A. Krapp, G. Frenking, Chem. Eur. J. 2007, 13, 8256-8270.
66. a) J. Poater, M. Sola, F. M. Bickelhaupt, Chem. Eur. J. 2006, 12, 2902-2905;
67. b) J. Poater, R. Visser, M. Sola, F. M. Bickelhaupt, J. Org. Chem. 2007, 72, 1134-1142.
68. a) E. Cerpa, A. Krapp, A. Vela, G. Merino, Chem. Eur. J. 2008, 14, 10232-10234;
69. b) E. Cerpa, A. Krapp, R. Flores-Moreno, K. J. Donald, G. Merino, Chem. Eur. J. 2009, 15, 1985-1990.
70. R. F. W Bader, J. Phys. Chem. A 2009, 113, 10391-10396.