Kazazić, Snježana; Muratović, Senada; Ćurić, Manda; Juribašić Kulcsar, Marina (2024) ESI-MS and DFT Study of Solvent Bonding in Dicyclopalladated 4-Phenylaminoazobenzene. Croatica Chemica Acta, 97 (4). ISSN 0011-1643
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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.
| Item Type: | Article | ||||||||
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| Uncontrolled Keywords: | mass spectrometry; palladated complex; azobenzene; DFT calculations; solvent bonding | ||||||||
| Subjects: | NATURAL SCIENCES > Chemistry > Physical Chemistry | ||||||||
| Divisions: | Division of Physical Chemistry | ||||||||
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| Depositing User: | Lorena Palameta | ||||||||
| Date Deposited: | 24 Apr 2025 09:25 | ||||||||
| URI: | http://fulir.irb.hr/id/eprint/9729 | ||||||||
| DOI: | 10.5562/cca4073 |
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