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                <text>This study reports a new octadentate tricarboxylate appended ligand (H4dphta) with enhanced relaxivity and high stability towards Gd(III) complex as an MRI probe. The designed ligand was synthesized in multiple steps. Both, the ligand and its complex were characterized by spectroscopic techniques. Structural analysis of Gd(III) complex by single crystal XRD confirms its mono-hydrated form adopting distorted capped square antiprism geometry. Protonation constants of the ligand and the thermodynamic stability constant of the [Gd(Hdphta)] and [Gd(H2dphta)]+ species have been found as log K110 = 18.6(1) and log K111 = 24.8(1) at 25.0 ◦C, and I = 0.15 mol&amp;sdot;L</text>
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&lt;p&gt;&lt;strong&gt;La legislaci&amp;oacute;n uruguaya protege el derecho&lt;/strong&gt;&amp;nbsp;de autor sobre toda creaci&amp;oacute;n literaria, cient&amp;iacute;fica o art&amp;iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&amp;oacute;n a lo establecido por el derecho com&amp;uacute;n y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006)&lt;/p&gt;&#13;
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                <text>In the present work, we investigated the proton-transfer reactions of Re(II)-nitrosyl complexes bearing halides and nicotinic acid (Hnic) or 6,6́-dinicotinic acid (H2dinic) trans-coordinated to the core {ReNO}3+ by potentiometry and UV - Vis absorption spectroscopy in a mixture DMSO:H2O (1:1; v:v). The presence of Hnic and H2dinic in title complexes promotes a marked decrease in the acidity (higher pK values) compared to the noncoordinated pyridine-derived ligands. The UV - Vis measurements indicate that the absorption spectra of complexes do not show any dependence on the acidity of the medium and the number of non-coordinated carboxylic units. Time-dependent Density Functional Theory (TD-DFT) calculations are performed to understand the optical properties of complexes and their response upon deprotonation. TD-DFT studies are conducted with PBE1PBE in combination with LANL2TZ on rhenium and 6&amp;ndash;311++G(d,p) on non-metal atoms within the CPCM approach. This methodology shows a reasonable match between the measured and simulated spectra keeping the computational cost low. The nature of all absorption bands is ascribed to a ligand-metal-to-ligandmetal charge transfer (LMLMCT), in which negligible contribution from carboxylic units is detected.</text>
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                <text>&lt;strong&gt;Soca Rosas, Karolina&lt;/strong&gt;&lt;br /&gt;&lt;br /&gt;</text>
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&lt;p dir="ltr"&gt;(Por favor lea este aviso antes de abrir los documentos u objetos)&lt;/p&gt;&#13;
&lt;p dir="ltr"&gt;&lt;strong&gt;La legislaci&amp;oacute;n uruguaya protege el derecho de autor&lt;/strong&gt;&amp;nbsp;sobre toda creaci&amp;oacute;n literaria, cient&amp;iacute;fica o art&amp;iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&amp;oacute;n a lo establecido por el derecho com&amp;uacute;n y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006)&lt;/p&gt;&#13;
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          <element elementId="49">
            <name>Subject</name>
            <description>The topic of the resource</description>
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              <elementText elementTextId="423336">
                <text>AGRONOM&amp;Iacute;A</text>
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                <text>MATERIA ORGANICA</text>
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                <text>SUELOS</text>
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              <elementText elementTextId="423339">
                <text>BIBLIOGRAFIA NACIONAL QUIMICA</text>
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                <text>1979</text>
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              <elementText elementTextId="423341">
                <text>POTENCIOMETRIA</text>
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          <element elementId="39">
            <name>Creator</name>
            <description>An entity primarily responsible for making the resource</description>
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                <text>&lt;strong&gt;Spangenberg, G. C.&lt;/strong&gt;</text>
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          <element elementId="48">
            <name>Source</name>
            <description>A related resource from which the described resource is derived</description>
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              <elementText elementTextId="423343">
                <text>Revista de la Asociaci&amp;oacute;n de Ingenieros Agr&amp;oacute;nomos del Uruguay v. 12, 1979. -- p. 13-18</text>
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          <element elementId="45">
            <name>Publisher</name>
            <description>An entity responsible for making the resource available</description>
            <elementTextContainer>
              <elementText elementTextId="423344">
                <text>Asociaci&amp;oacute;n de Ingenieros Agr&amp;oacute;nomos (Uruguay)</text>
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          <element elementId="40">
            <name>Date</name>
            <description>A point or period of time associated with an event in the lifecycle of the resource</description>
            <elementTextContainer>
              <elementText elementTextId="423345">
                <text>1979</text>
              </elementText>
            </elementTextContainer>
          </element>
          <element elementId="47">
            <name>Rights</name>
            <description>Information about rights held in and over the resource</description>
            <elementTextContainer>
              <elementText elementTextId="423346">
                <text>&lt;strong&gt;Informaci&amp;oacute;n sobre Derechos de Autor&lt;/strong&gt;&lt;br /&gt;&lt;br /&gt;(Por favor lea este aviso antes de abrir los documentos u objetos)&lt;br /&gt;&lt;br /&gt;&lt;strong&gt;La legislaci&amp;oacute;n uruguaya&lt;/strong&gt; protege el derecho de autor sobre toda creaci&amp;oacute;n literaria, cient&amp;iacute;fica o art&amp;iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&amp;oacute;n a lo establecido por el derecho com&amp;uacute;n y las siguientes leyes&lt;br /&gt;&lt;br /&gt;(LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006)&lt;br /&gt;&lt;br /&gt;&lt;strong&gt;ADVERTENCIA -&lt;/strong&gt; La consulta de este documento queda condicionada a la aceptaci&amp;oacute;n de las siguientes condiciones de uso: Este documento es &amp;uacute;nicamente para usos privados enmarcados en actividades de investigaci&amp;oacute;n y docencia. No se autoriza su reproducci&amp;oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&amp;oacute;n o cita de partes debe indicarse el nombre de la persona autora.</text>
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            <name>Format</name>
            <description>The file format, physical medium, or dimensions of the resource</description>
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              <elementText elementTextId="423347">
                <text>PDF</text>
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          <element elementId="44">
            <name>Language</name>
            <description>A language of the resource</description>
            <elementTextContainer>
              <elementText elementTextId="423348">
                <text>Espa&amp;ntilde;ol</text>
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            </elementTextContainer>
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          <element elementId="51">
            <name>Type</name>
            <description>The nature or genre of the resource</description>
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              <elementText elementTextId="423349">
                <text>Art&amp;iacute;culo</text>
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      <tag tagId="621">
        <name>1979</name>
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      <tag tagId="1030">
        <name>Agronomía</name>
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      <tag tagId="27">
        <name>Bibliografía Nacional Química</name>
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      <tag tagId="734">
        <name>Materia orgánica</name>
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      <tag tagId="2542">
        <name>Potenciometría</name>
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      <tag tagId="1265">
        <name>Suelos</name>
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