PUMA publications for /tag/fluorophosphate%20chlorohttps://puma.ub.uni-stuttgart.de/tag/fluorophosphate%20chloroPUMA RSS feed for /tag/fluorophosphate%20chloro2024-03-28T19:11:09+01:00Molecular and crystal structures of two mononuclear ruthenium(II) complexes with the strongly p accepting ligand 2,2'-azobis(pyridine) (abpy): mer-Ru(abpy)3(PF6)2 and Ru(abpy)2Cl2 (ctc isomer)https://puma.ub.uni-stuttgart.de/bibtex/2fc54a6e99ab1492ea850fa3ee0e4fd9a/huebleriachuebleriac2022-06-15T11:26:56+02:00ruthenium chloro mol fluorophosphate azobispyridine structure <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Joerg Fees" itemprop="url" href="/person/1ee791bfbe6cf4b5b403f33e8bf70911d/author/0"><span itemprop="name">J. Fees</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="H.-D. Hausen" itemprop="url" href="/person/1ee791bfbe6cf4b5b403f33e8bf70911d/author/1"><span itemprop="name">H. Hausen</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Wolfgang. Kaim" itemprop="url" href="/person/1ee791bfbe6cf4b5b403f33e8bf70911d/author/2"><span itemprop="name">W. Kaim</span></a></span></span>. </span><span class="additional-entrytype-information"><span itemtype="http://schema.org/PublicationIssue" itemscope="itemscope" itemprop="isPartOf"><em><span itemprop="journal">Zeitschrift fuer Naturforschung, B: A Journal of Chemical Sciences</span>, </em> <em><span itemtype="http://schema.org/PublicationVolume" itemscope="itemscope" itemprop="isPartOf"><span itemprop="volumeNumber">50 </span></span>(<span itemprop="issueNumber">1</span>):
<span itemprop="pagination">15--22</span></em> </span>(<em><span>1995<meta content="1995" itemprop="datePublished"/></span></em>)</span>Wed Jun 15 11:26:56 CEST 2022Zeitschrift fuer Naturforschung, B: A Journal of Chemical Sciences115--22Molecular and crystal structures of two mononuclear ruthenium(II) complexes with the strongly \textgreek{p} accepting ligand 2,2'-azobis(pyridine) (abpy): [mer-Ru(abpy)3](PF6)2 and Ru(abpy)2Cl2 (ctc isomer)501995ruthenium chloro mol fluorophosphate azobispyridine structure Crystal structure analyses of the title complexes were carried out to establish their mol. configurations. Crystallog. data and at. coordinates are given. The tris(chelate) complex dication in (1)(PF6)2 exhibits a mer configuration of pyridine and azo N atoms in an approx. octahedral arrangement at the metal. The dichlororuthenium bis(chelate) compd. 2 has the halide ligands and the coordinated azo N centers in an equatorial cis arrangement whereas two pyridyl groups (one of each abpy ligand) occupy the axial positions. The bond distances from the metal to the N donor centers are systematically smaller for the stronger \textgreek{p} accepting azo functions than for the more basic but less \textgreek{p} acidic pyridyl groups, a result which differs from that obtained for Mo(0) and Cu(I) complexes of abpy. All Ru-N distances are shorter in the neutral dichloro complex 2. The noncoordinated pyridyl rings of the potentially tetradentate abpy ligands are tilted into approx. s-cis/(NN-trans)/s-trans positions (dihedral angle \textgreek{w} $\approx$ 145°) as to minimize steric repulsion, however, they do not coordinate to the metal (dRu-N {\textgreater} 327 pm). While there are no significant intermol. interactions, the obsd. conformation implies that considerable structural reorganization is necessary for the formation of oligonuclear complexes. [on SciFinder(R)]Molecular and crystal structures of two mononuclear ruthenium(II) complexes with the strongly p accepting ligand 2,2'-azobis(pyridine) (abpy): mer-Ru(abpy)3(PF6)2 and Ru(abpy)2Cl2 (ctc isomer)https://puma.ub.uni-stuttgart.de/bibtex/2fc54a6e99ab1492ea850fa3ee0e4fd9a/b_schwederskib_schwederski2019-07-15T13:41:23+02:00ruthenium chloro mol fluorophosphate azobispyridine structure <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Joerg Fees" itemprop="url" href="/person/1ee791bfbe6cf4b5b403f33e8bf70911d/author/0"><span itemprop="name">J. Fees</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="H.-D. Hausen" itemprop="url" href="/person/1ee791bfbe6cf4b5b403f33e8bf70911d/author/1"><span itemprop="name">H. Hausen</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Wolfgang. Kaim" itemprop="url" href="/person/1ee791bfbe6cf4b5b403f33e8bf70911d/author/2"><span itemprop="name">W. Kaim</span></a></span></span>. </span><span class="additional-entrytype-information"><span itemtype="http://schema.org/PublicationIssue" itemscope="itemscope" itemprop="isPartOf"><em><span itemprop="journal">Zeitschrift fuer Naturforschung, B: A Journal of Chemical Sciences</span>, </em> <em><span itemtype="http://schema.org/PublicationVolume" itemscope="itemscope" itemprop="isPartOf"><span itemprop="volumeNumber">50 </span></span>(<span itemprop="issueNumber">1</span>):
<span itemprop="pagination">15--22</span></em> </span>(<em><span>1995<meta content="1995" itemprop="datePublished"/></span></em>)</span>Mon Jul 15 13:41:23 CEST 2019Zeitschrift fuer Naturforschung, B: A Journal of Chemical Sciences115--22Molecular and crystal structures of two mononuclear ruthenium(II) complexes with the strongly \textgreek{p} accepting ligand 2,2'-azobis(pyridine) (abpy): [mer-Ru(abpy)3](PF6)2 and Ru(abpy)2Cl2 (ctc isomer)501995ruthenium chloro mol fluorophosphate azobispyridine structure Crystal structure analyses of the title complexes were carried out to establish their mol. configurations. Crystallog. data and at. coordinates are given. The tris(chelate) complex dication in (1)(PF6)2 exhibits a mer configuration of pyridine and azo N atoms in an approx. octahedral arrangement at the metal. The dichlororuthenium bis(chelate) compd. 2 has the halide ligands and the coordinated azo N centers in an equatorial cis arrangement whereas two pyridyl groups (one of each abpy ligand) occupy the axial positions. The bond distances from the metal to the N donor centers are systematically smaller for the stronger \textgreek{p} accepting azo functions than for the more basic but less \textgreek{p} acidic pyridyl groups, a result which differs from that obtained for Mo(0) and Cu(I) complexes of abpy. All Ru-N distances are shorter in the neutral dichloro complex 2. The noncoordinated pyridyl rings of the potentially tetradentate abpy ligands are tilted into approx. s-cis/(NN-trans)/s-trans positions (dihedral angle \textgreek{w} $\approx$ 145°) as to minimize steric repulsion, however, they do not coordinate to the metal (dRu-N {\textgreater} 327 pm). While there are no significant intermol. interactions, the obsd. conformation implies that considerable structural reorganization is necessary for the formation of oligonuclear complexes. [on SciFinder(R)]Experimental and DFT calculated structure of the diruthenium(2.5) complex (Me3TACN)Ru(m-Cl)3Ru(Me3TACN)(PF6)2https://puma.ub.uni-stuttgart.de/bibtex/2131ff6b059670893ebfc21f12aef23c3/b_schwederskib_schwederski2019-07-15T13:41:23+02:00dinuclear methyltriazacyclononane ruthenium fluorophosphate;ESR crystal fluorophosphate;mol chloro fluorophosphate structure <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Wolfgang Kaim" itemprop="url" href="/person/1e003441448a2e1596e88f6d1d654dcf5/author/0"><span itemprop="name">W. Kaim</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Christoph Titze" itemprop="url" href="/person/1e003441448a2e1596e88f6d1d654dcf5/author/1"><span itemprop="name">C. Titze</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Axel Klein" itemprop="url" href="/person/1e003441448a2e1596e88f6d1d654dcf5/author/2"><span itemprop="name">A. Klein</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Axel Knodler" itemprop="url" href="/person/1e003441448a2e1596e88f6d1d654dcf5/author/3"><span itemprop="name">A. Knodler</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Stanislav. Zalis" itemprop="url" href="/person/1e003441448a2e1596e88f6d1d654dcf5/author/4"><span itemprop="name">S. Zalis</span></a></span></span>. </span><span class="additional-entrytype-information"><span itemtype="http://schema.org/PublicationIssue" itemscope="itemscope" itemprop="isPartOf"><em><span itemprop="journal">Israel Journal of Chemistry</span>, </em> <em><span itemtype="http://schema.org/PublicationVolume" itemscope="itemscope" itemprop="isPartOf"><span itemprop="volumeNumber">41 </span></span>(<span itemprop="issueNumber">3</span>):
<span itemprop="pagination">145--148</span></em> </span>(<em><span>2001<meta content="2001" itemprop="datePublished"/></span></em>)</span>Mon Jul 15 13:41:23 CEST 2019Israel Journal of Chemistry3145--148Experimental and DFT calculated structure of the diruthenium(2.5) complex [(Me3TACN)Ru(\textgreek{m}-Cl)3Ru(Me3TACN)](PF6)2412001dinuclear methyltriazacyclononane ruthenium fluorophosphate;ESR crystal fluorophosphate;mol chloro fluorophosphate structure The diruthenium(2.5) complex [(Me3TACN)Ru(\textgreek{m}-Cl)3Ru(Me3TACN)](PF6)2, Me3TACN = 1,4,7-trimethyl-1,4,7-triazacyclononane, was crystd. for structural characterization. Crystallog. data are given. The results are reproduced by d. functional theory (DFT) calcns. and confirm the sensitivity of the central Ru(\textgreek{m}-Cl)3Ru core to contacts between the Cl bridging atoms and the co-ligands. The singly occupied MO was characterized as a \textgreek{s}* MO involving the metal dz2 orbitals and a small halide contribution by DFT calcns. and EPR. [on SciFinder(R)]Experimental and DFT calculated structure of the diruthenium(2.5) complex (Me3TACN)Ru(m-Cl)3Ru(Me3TACN)(PF6)2https://puma.ub.uni-stuttgart.de/bibtex/2131ff6b059670893ebfc21f12aef23c3/huebleriachuebleriac2022-06-15T11:26:56+02:00dinuclear methyltriazacyclononane ruthenium fluorophosphate;ESR crystal fluorophosphate;mol chloro fluorophosphate structure <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Wolfgang Kaim" itemprop="url" href="/person/1e003441448a2e1596e88f6d1d654dcf5/author/0"><span itemprop="name">W. Kaim</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Christoph Titze" itemprop="url" href="/person/1e003441448a2e1596e88f6d1d654dcf5/author/1"><span itemprop="name">C. Titze</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Axel Klein" itemprop="url" href="/person/1e003441448a2e1596e88f6d1d654dcf5/author/2"><span itemprop="name">A. Klein</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Axel Knodler" itemprop="url" href="/person/1e003441448a2e1596e88f6d1d654dcf5/author/3"><span itemprop="name">A. Knodler</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Stanislav. Zalis" itemprop="url" href="/person/1e003441448a2e1596e88f6d1d654dcf5/author/4"><span itemprop="name">S. Zalis</span></a></span></span>. </span><span class="additional-entrytype-information"><span itemtype="http://schema.org/PublicationIssue" itemscope="itemscope" itemprop="isPartOf"><em><span itemprop="journal">Israel Journal of Chemistry</span>, </em> <em><span itemtype="http://schema.org/PublicationVolume" itemscope="itemscope" itemprop="isPartOf"><span itemprop="volumeNumber">41 </span></span>(<span itemprop="issueNumber">3</span>):
<span itemprop="pagination">145--148</span></em> </span>(<em><span>2001<meta content="2001" itemprop="datePublished"/></span></em>)</span>Wed Jun 15 11:26:56 CEST 2022Israel Journal of Chemistry3145--148Experimental and DFT calculated structure of the diruthenium(2.5) complex [(Me3TACN)Ru(\textgreek{m}-Cl)3Ru(Me3TACN)](PF6)2412001dinuclear methyltriazacyclononane ruthenium fluorophosphate;ESR crystal fluorophosphate;mol chloro fluorophosphate structure The diruthenium(2.5) complex [(Me3TACN)Ru(\textgreek{m}-Cl)3Ru(Me3TACN)](PF6)2, Me3TACN = 1,4,7-trimethyl-1,4,7-triazacyclononane, was crystd. for structural characterization. Crystallog. data are given. The results are reproduced by d. functional theory (DFT) calcns. and confirm the sensitivity of the central Ru(\textgreek{m}-Cl)3Ru core to contacts between the Cl bridging atoms and the co-ligands. The singly occupied MO was characterized as a \textgreek{s}* MO involving the metal dz2 orbitals and a small halide contribution by DFT calcns. and EPR. [on SciFinder(R)]