Formation in aqueous solution of a non-oxido V-IV complex with VN6 coordination. Potentiometric, ESI-MS, spectroscopic and computational characterization
The behaviour of the system formed by (VO2+)-O-IV ion with all-cis-2,4,6-trimethoxycyclohexane-1,3,5-triamine (tmca) was characterized in aqueous solution through the combined application of electron paramagnetic resonance (EPR) and UV-Vis spectroscopy, electrospray ionization mass spectrometry (ESI...
Published in: | Dalton Transactions |
---|---|
Main Authors: | , , , , , |
Other Authors: | , , , , , |
Format: | Article in Journal/Newspaper |
Language: | unknown |
Published: |
2013
|
Subjects: | |
Online Access: | http://hdl.handle.net/11388/156474 https://doi.org/10.1039/c3dt50969a |
id |
ftsassariuniiris:oai:iris.uniss.it:11388/156474 |
---|---|
record_format |
openpolar |
spelling |
ftsassariuniiris:oai:iris.uniss.it:11388/156474 2024-04-14T08:18:00+00:00 Formation in aqueous solution of a non-oxido V-IV complex with VN6 coordination. Potentiometric, ESI-MS, spectroscopic and computational characterization Lodyga Chruscinska E Szebesczyk A Sanna D Hegetschweiler K MICERA, Giovanni GARRIBBA, Eugenio Lodyga Chruscinska, E Szebesczyk, A Sanna, D Hegetschweiler, K Micera, Giovanni Garribba, Eugenio 2013 http://hdl.handle.net/11388/156474 https://doi.org/10.1039/c3dt50969a unknown info:eu-repo/semantics/altIdentifier/wos/WOS:000323759600019 volume:42 issue:37 firstpage:13404 lastpage:13416 numberofpages:13 journal:DALTON TRANSACTIONS http://hdl.handle.net/11388/156474 doi:10.1039/c3dt50969a info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-84883515671 info:eu-repo/semantics/article 2013 ftsassariuniiris https://doi.org/10.1039/c3dt50969a 2024-03-15T04:05:00Z The behaviour of the system formed by (VO2+)-O-IV ion with all-cis-2,4,6-trimethoxycyclohexane-1,3,5-triamine (tmca) was characterized in aqueous solution through the combined application of electron paramagnetic resonance (EPR) and UV-Vis spectroscopy, electrospray ionization mass spectrometry (ESI-MS), pH-potentiometry and DFT methods. The formation of an unusual non-oxido [V(tmcaH(-2))(2)] species with VN6 coordination, with the ligand in the bianionic form, was demonstrated. The geometry, EPR and UV-Vis spectra and electronic structure of [V(tmcaH(-2))(2)] were simulated with Gaussian 09 and ORCA software and the results were compared with those of similar oxido and non-oxido vanadium(IV) species formed by other polyamine and polyol related ligands, such as 1,3,5-triamino-1,3,5-trideoxy-cis-inositol (taci), 1,3,5-trideoxy-1,3,5-tris(dimethylamino)-cis-inositol (tdci), cis-inositol (ino) and 1,3,5-trideoxy-1,3,5-trimethoxy-cis-inositol (tmci). The results indicate that (VO2+)-O-IV species are formed in acid and weakly basic solution and that [V(tmcaH(-2))(2)] is observed above pH 10. In the non-oxido complex, DFT calculations suggest that the two -NH2 groups are in trans position and that the pre-organization of the ligands favours the metal complexation and the formation of the hexa-coordinated species with VN6 coordination. Article in Journal/Newspaper Orca CINECA IRIS Universitá Degli Studi di Sassari Dalton Transactions 42 37 13404 |
institution |
Open Polar |
collection |
CINECA IRIS Universitá Degli Studi di Sassari |
op_collection_id |
ftsassariuniiris |
language |
unknown |
description |
The behaviour of the system formed by (VO2+)-O-IV ion with all-cis-2,4,6-trimethoxycyclohexane-1,3,5-triamine (tmca) was characterized in aqueous solution through the combined application of electron paramagnetic resonance (EPR) and UV-Vis spectroscopy, electrospray ionization mass spectrometry (ESI-MS), pH-potentiometry and DFT methods. The formation of an unusual non-oxido [V(tmcaH(-2))(2)] species with VN6 coordination, with the ligand in the bianionic form, was demonstrated. The geometry, EPR and UV-Vis spectra and electronic structure of [V(tmcaH(-2))(2)] were simulated with Gaussian 09 and ORCA software and the results were compared with those of similar oxido and non-oxido vanadium(IV) species formed by other polyamine and polyol related ligands, such as 1,3,5-triamino-1,3,5-trideoxy-cis-inositol (taci), 1,3,5-trideoxy-1,3,5-tris(dimethylamino)-cis-inositol (tdci), cis-inositol (ino) and 1,3,5-trideoxy-1,3,5-trimethoxy-cis-inositol (tmci). The results indicate that (VO2+)-O-IV species are formed in acid and weakly basic solution and that [V(tmcaH(-2))(2)] is observed above pH 10. In the non-oxido complex, DFT calculations suggest that the two -NH2 groups are in trans position and that the pre-organization of the ligands favours the metal complexation and the formation of the hexa-coordinated species with VN6 coordination. |
author2 |
Lodyga Chruscinska, E Szebesczyk, A Sanna, D Hegetschweiler, K Micera, Giovanni Garribba, Eugenio |
format |
Article in Journal/Newspaper |
author |
Lodyga Chruscinska E Szebesczyk A Sanna D Hegetschweiler K MICERA, Giovanni GARRIBBA, Eugenio |
spellingShingle |
Lodyga Chruscinska E Szebesczyk A Sanna D Hegetschweiler K MICERA, Giovanni GARRIBBA, Eugenio Formation in aqueous solution of a non-oxido V-IV complex with VN6 coordination. Potentiometric, ESI-MS, spectroscopic and computational characterization |
author_facet |
Lodyga Chruscinska E Szebesczyk A Sanna D Hegetschweiler K MICERA, Giovanni GARRIBBA, Eugenio |
author_sort |
Lodyga Chruscinska E |
title |
Formation in aqueous solution of a non-oxido V-IV complex with VN6 coordination. Potentiometric, ESI-MS, spectroscopic and computational characterization |
title_short |
Formation in aqueous solution of a non-oxido V-IV complex with VN6 coordination. Potentiometric, ESI-MS, spectroscopic and computational characterization |
title_full |
Formation in aqueous solution of a non-oxido V-IV complex with VN6 coordination. Potentiometric, ESI-MS, spectroscopic and computational characterization |
title_fullStr |
Formation in aqueous solution of a non-oxido V-IV complex with VN6 coordination. Potentiometric, ESI-MS, spectroscopic and computational characterization |
title_full_unstemmed |
Formation in aqueous solution of a non-oxido V-IV complex with VN6 coordination. Potentiometric, ESI-MS, spectroscopic and computational characterization |
title_sort |
formation in aqueous solution of a non-oxido v-iv complex with vn6 coordination. potentiometric, esi-ms, spectroscopic and computational characterization |
publishDate |
2013 |
url |
http://hdl.handle.net/11388/156474 https://doi.org/10.1039/c3dt50969a |
genre |
Orca |
genre_facet |
Orca |
op_relation |
info:eu-repo/semantics/altIdentifier/wos/WOS:000323759600019 volume:42 issue:37 firstpage:13404 lastpage:13416 numberofpages:13 journal:DALTON TRANSACTIONS http://hdl.handle.net/11388/156474 doi:10.1039/c3dt50969a info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-84883515671 |
op_doi |
https://doi.org/10.1039/c3dt50969a |
container_title |
Dalton Transactions |
container_volume |
42 |
container_issue |
37 |
container_start_page |
13404 |
_version_ |
1796317382799523840 |