Molecular mechanics force field for platinum coordination complexes

Journal of Physical Chemistry

Volumn 100, Issue 46, 1996, Pages 18057-18064

  Cundari, Thomas R ^a   Fu, Wentao ^d   Moody, Eddie W ^d   Slavin, Lori L ^b   Snyder, Leigh Anne ^d   Sommerer, Shaun O ^c   Klinckman, Thomas R ^b  

^a University of Memphis   (United States)

^b BARRY UNIVERSITY   (United States)

^c AUSTIN PEAY STATE UNIVERSITY   (United States)

^d NONE

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000066552     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp961240x     Document Type: Article

References (62)

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38. The six-letter reference codes in bold are from the Cambridge Crystallographic Database (version 5.07 April 1994). (a) 1, ACHPTA (cis-dichloro-(1,2-cyclohexanediamine)platinum(II)): Lock, C. J. L.; Pilon, P. Acta Crystallogr. 1981, B37, 45-49.
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40. (c) 3, CDGLPT (cis-bis(glycinato)-platinum(II)): Pozhidaev, A. I.; Simonov, M. A.; Kruglik, A. I.; Shestakova, N. A.; Mal'chikov, G. D. Zh. Strukl. Khim. 1975, 16, 1080.
41. (d) 4, CUHKEV ((1R,2R-cyclohexanediamine)(oxalato)platinum(II)), and 5, CUHKIZ ((1R,2R-cyclohexanediamine)(malonato)platinum(II)): Bruck, M. A.; Bau, R.; Noji, M.; Inagaki, K.; Kidani, Y. Inorg. Chim. Acta 1984, 92, 279.
42. (e) 6, CUKRAB (cis-dichlorodiammineplatinum(II) dimethylformamide solvate): Raudaschl, C.; Lippert, B.; Hoeschele, J. D.; Howard-Lock, H. E.; Lock, C. J. L.; Pilon, P. Inorg. Chem. Acta 1985, 106, 141.
43. (f) 7, CUSRAJ (18-Crown-6 bis(dimethylacetamide) bis(diamminedichloroplatinum): Alston, D. R.; Stoddart, J. F.; Williams, D. J. J. Chem. Soc., Chem. Commun. 1985, 532.
44. 2-oxo)aqua(oxalato)molybdenum] trihydrate: Rodgers, K. R.; Murmann, R. K.; Schlemper, O.; Shelton, M. E. Inorg. Chem. 1985, 24, 1313.
45. (h) 9, DEGTEO (diammine(cyclobutane-1,1-dicarboxylato-O,O′)platinum-(II) α-cyclodextrin clathrate hydrate): Alston, D. R.; Slawin, A. M. Z.; Stoddart, J. F.; Williams, D. J. J. Chem. Soc., Chem. Commun. 1985, 1602.
46. (i) 10, DICTOY (diammine(malonato-O,O′)platinum(II)), and 11, DICTUE (diammine(oxalato-O,O′)platinum(II)): Rochon, F. D.; Melanson, R.; Macquet, J. P.; Belanger-Gariepy, F.; Beauchamp, A. L. Inorg. Chim. Acta 1985, 108, 1-6.
47. (j) 12, DIVXOV (dichloro(methyl-2,3-diamino-2,3-dideoxy-α-D-mannopyranoside)platinum(II) monohydrate): Tsubomura, T.; Yano, S.; Kobayashi, K.; Sakurai, T.; Yoshikawa, S. J. Chem. Soc., Chem. Commun. 1986, 459.
48. (k) 13, DUPGAW (cis-amminedichloro(cyclobutylamine)platinum(II)): Rochon, F. D.; Melanson, R. Acta Crystallogr. C 1986, 42, 1291.
49. (l) 14, FAZZAH (bis(tetra-n-propylammonium)-cis-dichlorobis-(methylamine)platinum(II) tetrachloroplatinum(II): Brammer, L.; Charnock, J. M.; Goggin, P. L.; Goodfellow, R. J.; Koetzle, T. F.; Orpen, A. G. J. Chem. Soc., Chem. Commun. 1987, 443.
50. (m) 15, FITFUJ ((SP-4, 2-(1α,2α,4α,5α))-dichloro-(4,5-dihydroxycyclohexane-1,2- diamine-N,N′)-platinum(II) monohydrate): Witiak, D. T.; Rotella, D. P.; Filippi, J. A.; Gallucci, J. J. Med. Chem. 1987, 30, 1327.
51. (n) 16, GADZEQ ((1,3-dihydroxy-2,2-bis(aminomethyl)propane-N,N′)(1,1- cyclobutanedicarboxylato-O,O′)platinun(II)): Bitha, P.; Child, R. G.; Hlavka, J. J.; Lang, S. A.; Lin, Y. I.; Haltiwanger, R. C.; Pierpont, C. G. Inorg. Chim. Acta 1988, 151, 89.
52. (o) 17, KASROL (cis-(2,3-diamino-1,4-butanediol-N,N′)-(malonato-O,O′)platinum(II): Bitha, P.; Carvajal, S. G.; Citarella, R. V.; Child, R. G.; Santos, E. F. D.; Dunne, T. S.; Durr, F. E.; Hlavka, J. J.; Lang, S. A.; Lindsay, H. A.; Morton, G. O Thomas, J. P.; Wallace, R. E.; Lin, Y.; Haltiwanger, R. C.; Pierpont, C. G. J. Med. Chem. 1989, 32, 2015.
53. (p) 18, KEDYUN (cis-diammine(glycinato-O)platinum(II) nitrate), 19, KEDZAU (cis-diammine(alaninato-O)platinum(II) nitrate), and 20, KEDZEY (cis-diammine(valinato-O)platinum(II) nitrate): lakovidis, A.; Hadjiliadis, N.; Schollhorn, H.; Thewalt, U.; Trotscher, G. Inorg. Chim. Acta 1989, 164, 221.
54. (q) 21, TAJTED (DL-dichloro(trans-1,2-diamino-trans-3,6-cyclohexanediol)platinum(II) monohydrate): Wang, J. G.; Bennani, Y. L.; Belanger-Gariepy, F.; Hanessian, S. Acta Crystallogr. C 1991, 47, 1067.
55. (r) 22, VAYXEY ((-)-(R)-(2-(aminomethyl)pyrrolidine-N,N′)(1,1-cyclobutanedicarboxylato-O, O′)platinum(II) monohydrate): Yonei, M.; Murata, H.; Itoh, M.; Watanabe, Y.; Ochi, K.; Honda, M.; Nawata, Y. Acta Crystallogr. 1990, C46, 137.
56. (s) 23, VONTOH (diammine(cyclopropane-1,1-dicarboxylato-O,O′)platinum monohydrate): Dong, Y. H.; Feng, J. C.; Huang, Z. Y.; Tang, W. X.; Dai, A. B.; Zhou, Z. Y.; Yu, K. B. Sci. China, Ser. B 1990, 33, 1297.
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61. FEYXOW (bis(1,3-propanediamine-N,N′)platinum(II) dichloride): Viossat, B.; Toffoli, P.; Khodadad, P.; Rodier, N. Acta Ctystallogr. 1987, C43, 855.
62. Five conformers are unique, with the remaining four related by symmetry. This analysis ignores conformers which may arise from different orientations of hydroxyl protons.