Correction for‘Anion-driven tetrel bond-induced engineering of lead(Ⅱ)architectures with N’-(1-(2-pyridyl)ethylidene)nicotinohydrazide:experimental and theoretical findings’by Ghodrat Mahmoudi et al.,Inorg.Chem.Fr...Correction for‘Anion-driven tetrel bond-induced engineering of lead(Ⅱ)architectures with N’-(1-(2-pyridyl)ethylidene)nicotinohydrazide:experimental and theoretical findings’by Ghodrat Mahmoudi et al.,Inorg.Chem.Front.,2017,4,171-182,https://doi.org/10.1039/C6QI00477F.展开更多
The half-lantern Pt^(II)_(2) complexes[Pt(C∩N)(μ-S∩N)]_(2)(C∩N=2-naphtylbenzothiazolate 1;2-phenylbenzothiazolate 2;S∩N=2-thiopyridine)were crystallized with electron-deficient arenes such as hexafluorobenzene(C_...The half-lantern Pt^(II)_(2) complexes[Pt(C∩N)(μ-S∩N)]_(2)(C∩N=2-naphtylbenzothiazolate 1;2-phenylbenzothiazolate 2;S∩N=2-thiopyridine)were crystallized with electron-deficient arenes such as hexafluorobenzene(C_(6)F_(6))and octafluoroanthraquinone(OFA)to furnish cocrystals 1·C_(6)F_(6),2·C_(6)F_(6),and 1·(OFA)_(2),all studied by X-ray crystallography.The obtained structural data revealed that structure-determining π-π stacking occurred between the arenes and metal square-planes.Density functional theory calculations,employing a set of computational tools,verified the contribution of the C⋯d_(z2)-PtII noncovalent bond in the overall stacking forces.Orbital interaction analysis using the charge displacement function(CDF)combined with the extended transition state natural orbital for chemical valence theory(ETS-NOCV)method demonstrated the significance of the d_(z2)(Pt)→π^(*)(C)charge-transfer interaction,which allows the attribution of the C⋯Pt contact to a metal-involved tetrel bonding.Many-body interaction analysis demonstrates a positive cooperative effect between the fragments of the half-lantern complex and the perfluoroarenes favoring the occurrence of supramolecular chains.展开更多
The evaluation of N’-(1-(2-pyridyl)ethylidene)nicotinohydrazide(HL)as a linker for the Pb^(II)tagged extended structures is described.The reaction of Pb(ClO_(4))_(2)or Pb(OAc)_(2)with HL in MeOH at 60℃and room tempe...The evaluation of N’-(1-(2-pyridyl)ethylidene)nicotinohydrazide(HL)as a linker for the Pb^(II)tagged extended structures is described.The reaction of Pb(ClO_(4))_(2)or Pb(OAc)_(2)with HL in MeOH at 60℃and room temperature,respectively,leads to heteroleptic complexes{[PbL]ClO_(4)}n·nH_(2)O and[PbL(OAc)]_(2),while the same reaction of Pb(ClO_(4))_(2)with HL at 60℃in the presence of two equivalents of NaOAc or NaNO_(2)leads to heteroleptic complexes{[Pb(HL)(OAc)]ClO_(4)}_(n)and[PbL(NO_(2))]n,respectively.Using Pb(NO_(3))_(2)as a source of Pb^(II)in the same reaction with HL and two equivalents of NaN_(3)or NaNCS at room temperature yields[PbLN_(3)]_(n)and[Pb_(2)(HL)_(2)(NO_(3))_(2)(NCS)_(2)],respectively.The room temperature reaction of Pb(NO_(3))_(2)with HL in the presence of two equivalents of NaClO_(4)leads to the transformation of the parent ligand to its perchlorate salt[H_(2)L]ClO_(4).In all the obtained Pb^(II)structures,HL or its deprotonated form L acts both as a chelating and a bridging ligand.The nature of the inorganic anion also influences the final structure.In all complexes the Pb^(II)center exhibits a hemidirected coordination geometry with all the covalent bonds being concentrated on one hemisphere of the coordination sphere with the closest approach of two atoms on the other side varying from 151°to 232°.The sterically available Pb^(II)ion participates in tetrel bonding as evidenced from the detailed structural analysis of the described complexes.As a result of tetrel bonding,the structures of all the six compounds can be extended to a higher dimensional framework,which is further stabilized byπ…πstacking interactions between the aromatic rings.The DFT based charge and energy decomposition(ETS-NOCV)calculations are performed in order to shed light on the nature of non-covalent interactions that determine the stability of the obtained structures.展开更多
文摘Correction for‘Anion-driven tetrel bond-induced engineering of lead(Ⅱ)architectures with N’-(1-(2-pyridyl)ethylidene)nicotinohydrazide:experimental and theoretical findings’by Ghodrat Mahmoudi et al.,Inorg.Chem.Front.,2017,4,171-182,https://doi.org/10.1039/C6QI00477F.
基金The support of the Russian Science Foundation(project 21-73-00056)is gratefully acknowledgedPhysicochemical studies were performed at the Center for Magnetic Resonance,Center for X-ray Diffraction Studies and the Center for Chemical Analysis and Materials Research,while theoretical calculations were performed at the Computational Center(all belonging to Saint Petersburg State University)M.L.K.thanks the Fundação para a Ciência e a Tecnologia(FCT),Portugal,projects UIDB/00100/2020 and UIDP/00100/2020 of Centro de Química Estrutural and LA/P/0056/2020 of the Institute of Molecular Sciences for providing facilities at his disposal.
文摘The half-lantern Pt^(II)_(2) complexes[Pt(C∩N)(μ-S∩N)]_(2)(C∩N=2-naphtylbenzothiazolate 1;2-phenylbenzothiazolate 2;S∩N=2-thiopyridine)were crystallized with electron-deficient arenes such as hexafluorobenzene(C_(6)F_(6))and octafluoroanthraquinone(OFA)to furnish cocrystals 1·C_(6)F_(6),2·C_(6)F_(6),and 1·(OFA)_(2),all studied by X-ray crystallography.The obtained structural data revealed that structure-determining π-π stacking occurred between the arenes and metal square-planes.Density functional theory calculations,employing a set of computational tools,verified the contribution of the C⋯d_(z2)-PtII noncovalent bond in the overall stacking forces.Orbital interaction analysis using the charge displacement function(CDF)combined with the extended transition state natural orbital for chemical valence theory(ETS-NOCV)method demonstrated the significance of the d_(z2)(Pt)→π^(*)(C)charge-transfer interaction,which allows the attribution of the C⋯Pt contact to a metal-involved tetrel bonding.Many-body interaction analysis demonstrates a positive cooperative effect between the fragments of the half-lantern complex and the perfluoroarenes favoring the occurrence of supramolecular chains.
基金the PL-Grid Infrastructure and resources provided by the ACC Cyfronet AGH(Cracow,Poland).
文摘The evaluation of N’-(1-(2-pyridyl)ethylidene)nicotinohydrazide(HL)as a linker for the Pb^(II)tagged extended structures is described.The reaction of Pb(ClO_(4))_(2)or Pb(OAc)_(2)with HL in MeOH at 60℃and room temperature,respectively,leads to heteroleptic complexes{[PbL]ClO_(4)}n·nH_(2)O and[PbL(OAc)]_(2),while the same reaction of Pb(ClO_(4))_(2)with HL at 60℃in the presence of two equivalents of NaOAc or NaNO_(2)leads to heteroleptic complexes{[Pb(HL)(OAc)]ClO_(4)}_(n)and[PbL(NO_(2))]n,respectively.Using Pb(NO_(3))_(2)as a source of Pb^(II)in the same reaction with HL and two equivalents of NaN_(3)or NaNCS at room temperature yields[PbLN_(3)]_(n)and[Pb_(2)(HL)_(2)(NO_(3))_(2)(NCS)_(2)],respectively.The room temperature reaction of Pb(NO_(3))_(2)with HL in the presence of two equivalents of NaClO_(4)leads to the transformation of the parent ligand to its perchlorate salt[H_(2)L]ClO_(4).In all the obtained Pb^(II)structures,HL or its deprotonated form L acts both as a chelating and a bridging ligand.The nature of the inorganic anion also influences the final structure.In all complexes the Pb^(II)center exhibits a hemidirected coordination geometry with all the covalent bonds being concentrated on one hemisphere of the coordination sphere with the closest approach of two atoms on the other side varying from 151°to 232°.The sterically available Pb^(II)ion participates in tetrel bonding as evidenced from the detailed structural analysis of the described complexes.As a result of tetrel bonding,the structures of all the six compounds can be extended to a higher dimensional framework,which is further stabilized byπ…πstacking interactions between the aromatic rings.The DFT based charge and energy decomposition(ETS-NOCV)calculations are performed in order to shed light on the nature of non-covalent interactions that determine the stability of the obtained structures.
