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| Item type: | Article | ||||
|---|---|---|---|---|---|
| Journal or Publication Title: | Inorganica chimica acta | ||||
| Publisher: | Elsevier | ||||
| Volume: | 217 | ||||
| Number of Issue or Book Chapter: | 1-2 | ||||
| Page Range: | pp. 159-170 | ||||
| Date: | 1994 | ||||
| Additional Information (public): | CAN 121:19167 67-3 Catalysis, Reaction Kinetics, and Inorganic Reaction Mechanisms 51772-49-7; 53861-42-0; 143988-09-4; 155830-96-9 Role: RCT (Reactant), RACT (Reactant or reagent) (energy and at. charge distribution of, as hydrolysis product, mol. mech. and quantum chem. study of); 155899-95-9; 155899-96-0 Role: RCT (Reactant), RACT (Reactant or reagent) (energy and at. charge distribution of, as hydrolysis product, mol. mech. and quantum chem. study of racemic); 142760-37-0; 142760-38-1 Role: PRP (Properties) (hydrolysis kinetics of); 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: RCT (Reactant), RACT (Reactant or reagent) (hydrolysis of, mol. mech. and quantum chem. study of) | ||||
| Institutions: | Chemistry and Pharmacy > Institute of Pharmacy > Alumni or Retired Professors > Prof. Schönenberger | ||||
| Projects: | SFB 234 | ||||
| Identification Number: |
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| Keywords: | Hydrolysis Kinetics of hydrolysis (of cis-diamminedichloroplatinum(II) and substituted bis(ethylenediamine)dichloroplatinum(II) complexes, mol. mech. and quantum chem. study of) Molecular mechanics Quantum chemistry (of hydrolysis of cis-diamminedichloroplatinum(II) and substituted bis(ethylenediamine)dichloroplatinum(II) complexes) Energy level (electronic, in cis-diamminedichloroplatinum(II) and substituted bis(ethylenediamine)dichloroplatinum(II) complexes undergoing hydrolysis, mol. mech. and quantum chem. study of) cisplatin hydrolysis mol mechanic quantum chem ammine chloro platinum hydrolysis kinetics ethylenediamine chloro platinum hydrolysis kinetics | ||||
| 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: | 17705 |
Abstract
Cisplatin and its substituted ethylenediamine derivs., cis-PtCl2(R2en) (en = ethylenediamine, R = H, Ph, 2-, 3- and 4-PhOH) have been studied with respect to the first step of their hydrolysis reaction. The geometry of the reactants and products was detd. by mol. mechanics (MM). The MM optimized structures were used to calc. by the extended Hueckel method the charge distribution and relative ...
Abstract
Cisplatin and its substituted ethylenediamine derivs., cis-PtCl2(R2en) (en = ethylenediamine, R = H, Ph, 2-, 3- and 4-PhOH) have been studied with respect to the first step of their hydrolysis reaction. The geometry of the reactants and products was detd. by mol. mechanics (MM). The MM optimized structures were used to calc. by the extended Hueckel method the charge distribution and relative electronic energies. The MM and EH calcns. were carried out with different ligand conformations. Due to increased non-bonded repulsion, with increasing ligand bulkiness, the square planar arrangement is the preferred geometry also by the MM results. This addnl. (to the electronic) stabilization of the square planar arrangement around Pt(II) is unfavorable for the aquation process. The thermodn. stabilities correlate with the rate of hydrolysis of meso-, (+)- and (-)-[1,2-bis(2-hydroxyphenyl)ethylenediamine]dichloroplatinum(II) (3-PtCl2). The slower rate of hydrolysis of the meso diastereoisomer as compared with that of the D, L species of 3-PtCl2 is explained by the presence of a 5th Pt-O contact in the meso diastereoisomer which hinders the entrance of the water mol. and makes the hydrolysis slower.
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