Original scientific paper

https://doi.org/10.5562/cca4073

ESI-MS and DFT Study of Solvent Bonding in Dicyclopalladated 4-Phenylaminoazobenzene

Snježana Kazazić ; Division of Physical Chemistry, Ruđer Bošković Institute, Bijenička cesta 54, HR-10002 Zagreb, Croatia
Senada Muratović ; Division of Physical Chemistry, Ruđer Bošković Institute, Bijenička cesta 54, HR-10002 Zagreb, Croatia
Manda Ćurić ; Division of Physical Chemistry, Ruđer Bošković Institute, Bijenička cesta 54, HR-10002 Zagreb, Croatia *
Marina Juribašić Kulcsár ; Division of Physical Chemistry, Ruđer Bošković Institute, Bijenička cesta 54, HR-10002 Zagreb, Croatia *

* Corresponding author.

Abstract

A study of solvent bonding and release in the dicyclopalladated 4-phenylaminoazobenzene chloride complex is reported. An ESI mass spectrometric study in the positive-ion mode has confirmed the rapid exchange of labile solvent ligands. A qualitative order of binding ability to palladium centers was established: MeCN < H2O < DMSO (O-bonded) < NH3. DFT calculations of isomeric dicyclopalladated complexes and their cationic species containing various combinations of coordinated solvents have revealed that solvent binding differs in mono- or disolvated cations as well as in neutral complexes, while their structural features are governed by the transphobic effect.

Keywords

mass spectrometry; palladated complex; azobenzene; DFT calculations; solvent bonding

Hrčak ID:

322986

URI

https://hrcak.srce.hr/322986

Publication date:

3.12.2024.

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