Quantum-chemical modeling of possible reactions of Roussin’s red esters with aryl ligands in DMSO solution

Possible reactions of Roussin’s red esters [Fe 2 (μ-SC 6 H 4 R) 2 (NO) 4 ], where R = H, o -NH 2 , m -NO 2 , m -OH, or m -NH 2 , in DMSO solution were investigated by quantum chemical modeling. It was shown that in these systems, numerous reactions can occur, including NO donation, ligand substituti...

Full description

Saved in:
Bibliographic Details
Published in:Russian chemical bulletin 2018-08, Vol.67 (8), p.1330-1334
Main Author: Emel’yanova, N. S.
Format: Article
Language:English
Subjects:
Aromatic compounds
ARYL RADICALS
Chemical reactions
Chemistry
Chemistry and Materials Science
Chemistry/Food Science
COMPUTERIZED SIMULATION
Coordination compounds
DECOMPOSITION
Decomposition reactions
DMSO
ESTERS
Full Articles
Inorganic Chemistry
INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY
IRON COMPLEXES
LIGANDS
Modelling
NITRIC OXIDE
NITROGEN DIOXIDE
Organic Chemistry
Quantum chemistry
QUANTUM MECHANICS
SOLUTIONS
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:Possible reactions of Roussin’s red esters [Fe 2 (μ-SC 6 H 4 R) 2 (NO) 4 ], where R = H, o -NH 2 , m -NO 2 , m -OH, or m -NH 2 , in DMSO solution were investigated by quantum chemical modeling. It was shown that in these systems, numerous reactions can occur, including NO donation, ligand substitution, and decomposition into mononuclear iron nitrosyl complexes. The resulting compounds are also NO donors.
ISSN:1066-5285
1573-9171
DOI:10.1007/s11172-018-2221-5