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Interrelation Between the Spiropyran-Merocyanine Isomerism and the Metal Coordination in 3d Metal Complexes of a Functionalized Spiropyran of the 2-Oxaindane Series.
- Source :
-
Journal of Structural Chemistry . Aug2023, Vol. 64 Issue 8, p1492-1503. 12p. - Publication Year :
- 2023
-
Abstract
- Possible isomers of the N-(3,4-dimethylphenyl)-2-[(7-hydroxy-3′,3′-dimethyl-3′H-spiro[chromene-2,1′-isobenzofuran]-8-yl)methylidine]hydrazinocarbothioamide (HL) spiropyran of the 2-oxaindane series and the [ML(H2O)3]+ (M = Mn(II), Fe(II), Co(II)) complexes on its basis are calculated by the quantum chemical DFT (CAM-B3LYP/6-311++G(d,p)) method. It is shown that complexation inverts the relative stability of spiro- and acyclic isomers of L; the acyclic isomer of the ligand is the most stable one among all the complexes for all metals. The effect of ligand structural isomerism on the relative stability of high- and low-spin states of coordination compounds is estimated. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00224766
- Volume :
- 64
- Issue :
- 8
- Database :
- Academic Search Index
- Journal :
- Journal of Structural Chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 171307831
- Full Text :
- https://doi.org/10.1134/S0022476623080139