Free tetra- and hexa-coordinated platinum-cyanide dianions, Pt (CN)42 - and Pt (CN)62 -: A combined photodetachment photoelectron spectroscopic and theoretical study

Chemical Physics

Volumn 329, Issue 1-3, 2006, Pages 230-238

  Wang, Xue Bin ^a,b   Wang, Yi Lei ^c   Woo, Hin Koon ^a,b   Li, Jun ^c   Wu, Guo Shi ^c   Wang, Lai Sheng ^a,b  

^a WASHINGTON STATE UNIVERSITY   (United States)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^c BEIJING UNIVERSITY OF POSTS AND TELECOMMUNICATIONS   (China)

Author keywords

Cyanide ligand; Multiply charged anion; Platinum coordination complex; Repulsive Coulomb barrier; Spin orbit coupling

Indexed keywords

EID: 33749507528     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2006.07.018     Document Type: Article

References (73)

1. Maas W.P.M., and Nibbering N.M.M. Int. J. Mass Spectrom., Ion Processes 88 (1989) 257
2. Freeman G.R., and March N.H. J. Phys. Chem. 100 (1996) 4331
3. Scheller M.K., Compton R.N., and Cederbaum L.S. Science 270 (1995) 1160
4. Boldyrev A.I., Gutowski M., and Simons J. Acc. Chem. Res. 29 (1996) 497
5. Zakrzewski V.G., and Ortiz J.V. J. Chem. Phys. 102 (1995) 294
6. Dreuw A., and Cederbaum L.S. Chem. Rev. 102 (2002) 181
7. Yannouleas C., and Landman U. Chem. Phys. Lett. 210 (1993) 437
8. Watts J.D., and Bartlett R.J. J. Chem. Phys. 97 (1992) 3445
9. Scheller M.K., and Cederbaum L.S. Chem. Phys. Lett. 216 (1993) 141
10. Wang L.S., and Wang X.B. J. Phys. Chem. A 104 (2000) 1978
11. Wang X.B., Yang X., and Wang L.S. Int. Rev. Phys. Chem. 21 (2002) 473
12. Wang X.B., Ding C.F., and Wang L.S. Phys. Rev. Lett. 81 (1998) 3351
13. Ding C.F., Wang X.B., and Wang L.S. J. Phys. Chem. A 102 (1998) 8633
14. Wang X.B., and Wang L.S. Nature 400 (1999) 245
15. Wang X.B., Yang X., Nicholas J.B., and Wang L.S. Science 294 (2001) 1322
16. Jin C., Hettich R.L., Compton R.N., Tuinman A.A., Derecskei-Kovacs A., Marynick D.S., and Dunlap B.I. Phys. Rev. Lett. 73 (1994) 2821
17. Compton R.N., Tuinman A.A., Klots C.E., Pederson M.R., and Patton D.C. Phys. Rev. Lett. 78 (1997) 4367
18. Yannouleas C., Landman U., Herlert A., and Schweikhard L. Phys. Rev. Lett. 86 (2001) 2996
19. Schauer S.N., Williams P., and Compton R.N. Phys. Rev. Lett. 65 (1990) 625
20. Klein J., and Middleton R. Nucl. Instr. Meth. Phys. Res. B 159 (1999) 8
21. Middleton R., and Klein J. Phys. Rev. A 60 (1999) 3515
22. Zhao X.L., and Litherland A.E. Phys. Rev. A 71 (2005) 064501
23. Franzreb K., and Williams P. J. Chem. Phys. 123 (2005) 224312
24. Liu B., Tomita S., Rangama J., Hvelplund P., and Nielsen S.B. ChemPhysChem 4 (2003) 1341
25. Liu B., Hvelplund P., Nielsen S.B., and Tomita S. Phys. Rev. Lett. 92 (2004) 168301
26. Ehrler O.T., Furche F., Weber J.M., and Kappes M.M. J. Chem. Phys. 122 (2005) 094321
27. Friedrich J., Gilb S., Ehrler O.T., Behrendt A., and Kappes M.M. J. Chem. Phys. 117 (2002) 2635
28. Loffler D., Weber J.M., and Kappes M.M. J. Chem. Phys. 123 (2005) 224308
29. Wang X.B., and Wang L.S. J. Am. Chem. Soc. 122 (2000) 2339
30. Wang X.B., and Wang L.S. Phys. Rev. Lett. 83 (1999) 3402
31. Wang X.B., and Wang L.S. J. Chem. Phys. 111 (1999) 4497
32. Sommerfeld T., Feuerbacher S., Pernpointner M., and Cederbaum L.S. J. Chem. Phys. 118 (2003) 1747
33. Pernpointner M., Breidbach J., and Cederbaum L.S. J. Chem. Phys. 122 (2005) 064311
34. Cotton F.A., and Wilkinson G. Advanced Inorganic Chemistry (1988), Wiley, New York
35. Knoeppel D.W., and Shore S.G. Inorg. Chem. 35 (1996) 5328
36. Mason III W.R., and Gray H.B. J. Am. Chem. Soc. 90 (1968) 5721
37. Lechner A., and Gliemann G. J. Am. Chem. Soc. 111 (1989) 7469
38. Stephens P.J., McCaffery A.J., and Schatz P.N. Inorg. Chem. 7 (1968) 1923
39. Gray H.B., and Ballhausen C.J. J. Am. Chem. Soc. 85 (1963) 260
40. Perumareddi J.R., Liehr A.D., and Adamson A.W. J. Am. Chem. Soc. 85 (1963) 249
41. El Ghazaly M.O., Svendsen A., Bluhme H., Nielsen A.B., Brøndsted Nielsen S., and Andersen L.H. Phys. Rev. Lett. 93 (2004) 203201
42. Bojesen G., Hvelplund P., Jorgensen T.J.D., and Nielsen S.B. J. Chem. Phys. 113 (2000) 6608
43. Wang L.S., Ding C.F., Wang X.B., and Barlow S.E. Rev. Sci. Instrum. 70 (1999) 1957
44. Wang X.B., Woo H.K., Kiran B., and Wang L.S. Angew. Chem., Int. Ed. 44 (2005) 4968
45. Wang X.B., Woo H.K., Kiran B., and Wang L.S. J. Chem. Phys. 123 (2005) 051106
46. Becke A.D. J. Chem. Phys. 98 (1993) 1372
47. Becke A.D. J. Chem. Phys. 98 (1993) 5648
48. Lee C., Yang G., and Parr R.G. Phys. Rev. B 37 (1988) 785
49. Stephens P.J., Devlin F.J., Chabalowski C.F., and Frisch M.J. J. Phys. Chem. 98 (1994) 11623
50. Stephens P.J., Devlin F.J., Ashvar C.S., Chabalowski C.F., and Frisch M.J. Faraday Discuss. 99 (1994) 103
51. Andrae D., Häusserman U., Dolg M., Stoll H., and Preuss H. Theor. Chim. Acta 77 (1990) 123
52. Ditchfield R., Hehre W.J., and Pople J.A. J. Chem. Phys. 54 (1971) 724
53. E. Apra, T.L. Windus, T.P. Straatsma, E.J. Bylaska, W. de Jong, S. Hirata, M. Valiev, M.T. Hackler, L. Pollack, K. Kowalski, R.J. Harrison, M. Dupuis, D.M.A. Smith, J. Nieplocha, V. Tipparaju, M. Krishnan, A.A. Auer, E. Brown, G. Cisneros, G.I. Fann, H. Fruchtl, J. Garza, K. Hirao, R. Kendall, J.A. Nichols, K. Tsemekhman, K. Wolinski, J. Anchell, D. Bernholdt, P. Borowski, T. Clark, D. Clerc, H. Dachsel, M. Deegan, K. Dyall, D. Elwood, E. Glendening, M. Gutowski, A. Hess, J. Jaffe, B. Johnson, J. Ju, R. Kobayashi, R. Kutteh, Z. Lin, R. Littlefield, X. Long, B. Meng, T. Nakajima, S. Niu, M. Rosing, G. Sandrone, M. Stave, H. Taylor, G. Thomas, J. van Lenthe, A. Wong, Z. Zhang, NWChem, A Computational Chemistry Package for Parallel Computers, Version 4.7, Pacific Northwest National Laboratory, Richland, Washington, USA, 2005.
54. Pyykkö P. Chem. Rev. 88 (1988) 563
55. ADF 2005.01, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands (http://www.scm.com). te Velde G., Bickelhaupt F.M., van Gisbergen S.J.A., Fonseca Guerra C., Baerends E.J., Snijders J.G., and Ziegler T. J. Comput. Chem. 22 (2001) 931
56. Fonseca Guerra C., Snijders J.G., te Velde G., and Baerends E.J. Theor. Chem. Acc. 99 (1998) 391
57. van Lenthe E., Baerends E.J., and Snijders J.G. J. Chem. Phys. 99 (1993) 4597
58. Perdew J.P., and Wang Y. Phys. Rev. B 45 (1992) 13244
59. Perdew J.P., Chevary J.A., Vosko S.H., Jackson K.A., Pederson M.R., Singh D.J., and Foilhais C. Phys. Rev. B 46 (1992) 6671
60. van Lenthe E., and Baerends E.J. J. Comp. Chem. 24 (2003) 1142
61. Mulliken R.S. J. Chem. Phys. 23 (1955) 1833
62. Mulliken R.S. J. Chem. Phys. 36 (1962) 3428
63. Hirshfeld F.L. Theor. Chim. Acta 44 (1977) 129
64. Fonseca Guerra C., Handgraaf J.-W., Baerends E.J., and Bickelhaupt F.M. J. Comp. Chem. 25 (2004) 189
65. Swart M., van Duijnen P.Th., and Snijders J.G. J. Comput. Chem. 22 (2001) 79
66. Waters T., Woo H.K., Wang X.B., and Wang L.S. J. Am. Chem. Soc. 128 (2006) 4282
67. Baerends E.J., and Gritsenko O.V. J. Phys. Chem. A 101 (1997) 5383
68. Politzer P., and Abu-Awwad F. Theor. Chem. Acc. 99 (1998) 83
69. Stowasser R., and Hoffmann R. J. Am. Chem. Soc. 121 (1999) 3414
70. Dreuw A., and Cederbaum L.S. Phys. Rev. A 63 (2000) 012501
71. Shi Q., and Kais S. J. Am. Chem. Soc. 124 (2002) 11723
72. Wang X.B., Nicholas J.B., and Wang L.S. J. Chem. Phys. 113 (2000) 653
73. Wang X.B., and Wang L.S. J. Phys. Chem. A 104 (2000) 4429