Tuning the Reactivity and Bonding Properties of the Pt(II) Complexes by the Substitution(s) on the Trans-Coordinated Non-Aromatic Amine Ligand

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12110%2F21%3A43903413" target="_blank" >RIV/60076658:12110/21:43903413 - isvavai.cz</a>

Alternative codes found

RIV/60076658:12310/21:43903413

Result on the web

<a href="https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/slct.202100887" target="_blank" >https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/slct.202100887</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1002/slct.202100887" target="_blank" >10.1002/slct.202100887</a>

Result language

angličtina

Original language name

Tuning the Reactivity and Bonding Properties of the Pt(II) Complexes by the Substitution(s) on the Trans-Coordinated Non-Aromatic Amine Ligand

Original language description

Kinetics of the hydration reaction and the bonding properties of the trans-[Pt(NH3)(2)(NH2X)Cl](+) complexes (X=H, CH3, F, Cl, Br, NH2, NO2, OH, dimethylamine (DMA), cyclopropyl (CyP), cyclohexyl (CyH)) were studied theoretically by DFT methodology in the gas phase and the water solution. The electron-donating and electron-withdrawing X substituents lower and increase, respectively, the activation free energy (Delta G(not equal)) and Pt-trans ligand binding energies (BEs) to a similar extent as meta and para substituents of the pyridine ligand studied previously (ACS Omega, 2020, 5, 11768). For the saturated hydrocarbon X substituents (X=H, CH3, CyP, CyH), the Delta G(not equal) values and Pt-trans ligand BEs decrease with the logarithm of the X substituent size being best quantified by the number of electrons. The additivity of the substituent effects was studied on the NF3 ligand and worked well for ligand charges and Pt-trans ligand BEs. The influence of chelation was evaluated by the comparison of the CyH system and the complexes with the cyclohexanediamine (DACH) ligand. Finally, the effect of isomerization was studied on the complexes with the 1,2-bis(aminomethyl)cyclobutane (BAMCB) ligand. Thus, this study also evaluates the influence of the non-leaving ligands present in cisplatin, oxaliplatin, lobaplatin, JM118, and JM11 drugs on the reactivity of the Pt(II) complexes in the same ligand environment.

Czech name

—

Czech description

—

Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

—

OECD FORD branch

10403 - Physical chemistry

Project

<a href="/en/project/LTAUSA17163" target="_blank" >LTAUSA17163: Molecular simulations of processes at solid-liquid interfaces</a><br>

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year

2021

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

ChemistrySelect

ISSN

2365-6549

e-ISSN

—

Volume of the periodical

6

Issue of the periodical within the volume

13

Country of publishing house

DE - GERMANY

Number of pages

7

Pages from-to

3162-3168

UT code for WoS article

000656857900013

EID of the result in the Scopus database

2-s2.0-85107570161