Nikolov, G. S., Trendafilova, N., Georgieva, I., Schönenberger, Helmut, Gust, R., 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 > Alumni or Retired Professors > Prof. Schönenberger | ||||
| Projects: | SFB 234 | ||||
| Identification Number: |
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| 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 | ||||
| Dewey Decimal Classification: | 500 Science > 540 Chemistry & allied sciences | ||||
| Status: | Published | ||||
| Refereed: | Yes, this version has been refereed | ||||
| Created at the University of Regensburg: | Yes | ||||
| Item ID: | 17717 |
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