Nikolov, G. S., Trendafilova, N., Georgieva, I., Schönenberger, Helmut, Gust, R., Kritzenberger, J. und 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), S. 443-474.
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Zusammenfassung
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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| Dokumentenart: | Artikel | ||||
|---|---|---|---|---|---|
| Datum: | 1997 | ||||
| Zusätzliche Informationen (Öffentlich): | 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) | ||||
| Institutionen: | Chemie und Pharmazie > Institut für Pharmazie > Entpflichtete oder im Ruhestand befindliche Professoren > Prof. Schönenberger | ||||
| Projekte: | SFB 234 | ||||
| Identifikationsnummer: |
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| Stichwörter / 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-Dezimal-Klassifikation: | 500 Naturwissenschaften und Mathematik > 540 Chemie | ||||
| Status: | Veröffentlicht | ||||
| Begutachtet: | Ja, diese Version wurde begutachtet | ||||
| An der Universität Regensburg entstanden: | Ja | ||||
| Eingebracht am: | 09 Nov 2010 12:55 | ||||
| Zuletzt geändert: | 08 Mrz 2017 08:28 | ||||
| Dokumenten-ID: | 17717 |
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