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Molecular mechanical and quantum chemical study of the species involved in the hydrolysis of cis-diamminedichloroplatinum(II) and substituted bis(ethylenediamine)-dichloroplatinum(II) complexes. Part 2. Simulated transition states

Nikolov, G. S. and Trendafilova, N. and Georgieva, I. and Schönenberger, Helmut and Gust, R. and Kritzenberger, J. and Yersin, H. (1997) Molecular mechanical and quantum chemical study of the species involved in the hydrolysis of cis-diamminedichloroplatinum(II) and substituted bis(ethylenediamine)-dichloroplatinum(II) complexes. Part 2. Simulated transition states. Monatshefte für Chemie 128 (5), pp. 443-474.

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Abstract

Cis-diamminedichloroplatinum(II) (cisplatin) and its substituted ethylenediamine derivs. cis-PtCl2(R2en) (en = ethylenediamine, R = H, Ph, 2-, 3-, and 4-PhOH) were investigated with respect to the possible structures of the hypothetical transition state complexes (TSC) of the hydrolytic SN2 reaction in which 1 Cl is replaced by H2O. TSCs with trigonal bipyramid (TBP) and square pyramid (SP) ...

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Item Type:Article
Date:1997
Additional information (public):CAN 127:322968 65-5 General Physical Chemistry 14096-51-6; 15663-27-1 (Cisplatin); 81520-29-8; 90130-44-2; 91265-66-6; 91326-61-3; 93856-31-6; 93983-45-0; 138230-33-8; 138258-84-1 Role: PEP (Physical, engineering or chemical process), PRP (Properties), PROC (Process) (mol.-mech. and quantum chem. study of species involved in hydrolysis of cis-diamminedichloroplatinum(II) and substituted bis(ethylenediamine)-dichloroplatinum(II) complexes)
Institutions:Chemistry and Pharmacy > Institute of Pharmacy > Retired Professors > Prof. Schönenberger
Projects:SFB 234
Identification Number:
ValueType
1997:619460Other
Keywords:Conformers EHMO Hydrolysis Isomerization Molecular mechanics Molecular structure Total energy Transition state structure (mol.-mech. and quantum chem. study of species involved in hydrolysis of cis-diamminedichloroplatinum(II) and substituted bis(ethylenediamine)-dichloroplatinum(II) complexes) Amines Role: PEP (Physical, engineering or chemical process), PRP (Properties), PROC (Process) (platinum complexes mol.-mech. and quantum chem. study of species involved in hydrolysis of cis-diamminedichloroplatinum(II) and substituted bis(ethylenediamine)-dichloroplatinum(II) complexes) amminechloroplatinum complex hydrolysis transition state simulation ethylenediaminechloro platinum complex hydrolysis mol mechanic EHMO amminechloroplatinum complex hydrolysis transition state
Subjects:500 Science > 540 Chemistry & allied sciences
Status:Published
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Yes
Owner: Petra Gürster
Deposited On:09 Nov 2010 12:55
Last Modified:12 Nov 2010 06:29
Item ID:17717
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