Complexation properties of N-thiophosphorylated thiourea towards

2013
journal article
article
dc.abstract.enReaction of the deprotonated N -thiophosphorylated thiourea 2-PyNHC(S)NHP(S)(OiPr) 2 (HL) with NiCl 2 leads to the complex [Ni{2-PyNHC(S)NP(S)(OiPr) 2 } 2 ] ([NiL 2 ]) with unprecedented 1,5,7- N , N ’ , S -coordination of the ligand. Recrystallization of [NiL 2 ]from a mixture of CH 2 Cl 2 – n -hexane or acetone – n -hexane leads to [Ni- (L-1,5,7- N , N ’ , S ) 2 ]·CH 2 Cl 2 and [Ni(L-1,5,7- N , N ’ , S ) 2 ], respectively. The latter complex, in turn, shows a temperature-induced polymorph- ism. [NiL 2 ] in solution shows a paramagnetic distorted octahedral structure where the metal center is coordinated through the nitro- gen atoms of the phosphorylamide and pyridyl group functions, and oxygen atoms of the phosphorylamide unit. Furthermore, in the solid state at low temperature, [Ni(L-1,5,7- N , N ’ , S ) 2 ] is shown from high-frequency EPR measurements to possess an S =1 ground state with large anisotropy.pl
dc.affiliationWydział Chemii : Zakład Metod Obliczeniowych Chemiipl
dc.contributor.authorSafin, Damir A.pl
dc.contributor.authorBabashkina, Maria G.pl
dc.contributor.authorKubisiak, Piotr - 126382 pl
dc.contributor.authorMitoraj, Mariusz - 160142 pl
dc.contributor.authorRobeyns, Koenpl
dc.contributor.authorGoovaerts, Etiennepl
dc.contributor.authorGarcia, Yannpl
dc.date.accessioned2015-06-03T08:24:10Z
dc.date.available2015-06-03T08:24:10Z
dc.date.issued2013pl
dc.description.number15pl
dc.description.physical5252-5257pl
dc.description.volume42pl
dc.identifier.doi10.1039/C3DT32886Dpl
dc.identifier.eissn1477-9234pl
dc.identifier.issn1477-9226pl
dc.identifier.urihttp://ruj.uj.edu.pl/xmlui/handle/item/8793
dc.languageengpl
dc.language.containerengpl
dc.rights.licencebez licencji
dc.subtypeArticlepl
dc.titleComplexation properties of N-thiophosphorylated thiourea $2-PyNHC(S)NHP(S)(OiPr)_2$ towards $Ni^{II}$pl
dc.title.journalDalton Transactionspl
dc.typeJournalArticlepl
dspace.entity.typePublication
dc.abstract.enpl
Reaction of the deprotonated N -thiophosphorylated thiourea 2-PyNHC(S)NHP(S)(OiPr) 2 (HL) with NiCl 2 leads to the complex [Ni{2-PyNHC(S)NP(S)(OiPr) 2 } 2 ] ([NiL 2 ]) with unprecedented 1,5,7- N , N ’ , S -coordination of the ligand. Recrystallization of [NiL 2 ]from a mixture of CH 2 Cl 2 – n -hexane or acetone – n -hexane leads to [Ni- (L-1,5,7- N , N ’ , S ) 2 ]·CH 2 Cl 2 and [Ni(L-1,5,7- N , N ’ , S ) 2 ], respectively. The latter complex, in turn, shows a temperature-induced polymorph- ism. [NiL 2 ] in solution shows a paramagnetic distorted octahedral structure where the metal center is coordinated through the nitro- gen atoms of the phosphorylamide and pyridyl group functions, and oxygen atoms of the phosphorylamide unit. Furthermore, in the solid state at low temperature, [Ni(L-1,5,7- N , N ’ , S ) 2 ] is shown from high-frequency EPR measurements to possess an S =1 ground state with large anisotropy.
dc.affiliationpl
Wydział Chemii : Zakład Metod Obliczeniowych Chemii
dc.contributor.authorpl
Safin, Damir A.
dc.contributor.authorpl
Babashkina, Maria G.
dc.contributor.authorpl
Kubisiak, Piotr - 126382
dc.contributor.authorpl
Mitoraj, Mariusz - 160142
dc.contributor.authorpl
Robeyns, Koen
dc.contributor.authorpl
Goovaerts, Etienne
dc.contributor.authorpl
Garcia, Yann
dc.date.accessioned
2015-06-03T08:24:10Z
dc.date.available
2015-06-03T08:24:10Z
dc.date.issuedpl
2013
dc.description.numberpl
15
dc.description.physicalpl
5252-5257
dc.description.volumepl
42
dc.identifier.doipl
10.1039/C3DT32886D
dc.identifier.eissnpl
1477-9234
dc.identifier.issnpl
1477-9226
dc.identifier.uri
http://ruj.uj.edu.pl/xmlui/handle/item/8793
dc.languagepl
eng
dc.language.containerpl
eng
dc.rights.licence
bez licencji
dc.subtypepl
Article
dc.titlepl
Complexation properties of N-thiophosphorylated thiourea $2-PyNHC(S)NHP(S)(OiPr)_2$ towards $Ni^{II}$
dc.title.journalpl
Dalton Transactions
dc.typepl
JournalArticle
dspace.entity.type
Publication
Affiliations

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