PUMA publications for /tag/fluorophosphate;esrhttps://puma.ub.uni-stuttgart.de/tag/fluorophosphate;esrPUMA RSS feed for /tag/fluorophosphate;esr2024-03-28T14:10:02+01:00Experimental 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+02:00chloro crystal dinuclear fluorophosphate fluorophosphate;ESR fluorophosphate;mol methyltriazacyclononane ruthenium 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)2412001chloro crystal dinuclear fluorophosphate fluorophosphate;ESR fluorophosphate;mol methyltriazacyclononane ruthenium 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/b_schwederskib_schwederski2019-07-15T13:41:23+02:00chloro crystal dinuclear fluorophosphate fluorophosphate;ESR fluorophosphate;mol methyltriazacyclononane ruthenium 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)2412001chloro crystal dinuclear fluorophosphate fluorophosphate;ESR fluorophosphate;mol methyltriazacyclononane ruthenium 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)]