<?xml version="1.0" encoding="ISO-8859-1"?><article xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance">
<front>
<journal-meta>
<journal-id>1405-888X</journal-id>
<journal-title><![CDATA[TIP. Revista especializada en ciencias químico-biológicas]]></journal-title>
<abbrev-journal-title><![CDATA[TIP]]></abbrev-journal-title>
<issn>1405-888X</issn>
<publisher>
<publisher-name><![CDATA[Universidad Nacional Autónoma de México, Facultad de Estudios Superiores Zaragoza]]></publisher-name>
</publisher>
</journal-meta>
<article-meta>
<article-id>S1405-888X2009000100020</article-id>
<title-group>
<article-title xml:lang="es"><![CDATA[Un estudio teórico AIM (Atoms in Molecules) con el fin de evidenciar la existencia de puentes de hidrógeno en varios derivados tiazólicos]]></article-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Sánchez-Viesca]]></surname>
<given-names><![CDATA[Francisco]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Cortés]]></surname>
<given-names><![CDATA[Fernando]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Gómez]]></surname>
<given-names><![CDATA[Ma. Reina]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Berros]]></surname>
<given-names><![CDATA[Martha]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
</contrib-group>
<aff id="Af1">
<institution><![CDATA[,UNAM Facultad de Química División de Estudios de Posgrado]]></institution>
<addr-line><![CDATA[México, D.F. ]]></addr-line>
<country>Mexico</country>
</aff>
<pub-date pub-type="pub">
<day>00</day>
<month>00</month>
<year>2009</year>
</pub-date>
<pub-date pub-type="epub">
<day>00</day>
<month>00</month>
<year>2009</year>
</pub-date>
<volume>12</volume>
<numero>1</numero>
<fpage>20</fpage>
<lpage>26</lpage>
<copyright-statement/>
<copyright-year/>
<self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_arttext&amp;pid=S1405-888X2009000100020&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_abstract&amp;pid=S1405-888X2009000100020&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_pdf&amp;pid=S1405-888X2009000100020&amp;lng=en&amp;nrm=iso"></self-uri><abstract abstract-type="short" xml:lang="es"><p><![CDATA[Resumen: Esta comunicación empieza con una reseña de varios artículos en los que describimos la síntesis y la espectroscopía de 24 derivados tiazólicos nuevos. Muchos de estos compuestos presentaron desviaciones paramagnéticas en sus espectros de RMN de 1H, las cuales se interpretaron como debidas a la formación de puentes de hidrógeno. Por lo anterior, se realizó un estudio teórico utilizando cálculos ab initio con el fin de tener una evidencia teórica de estas interacciones, basándose en la densidad electrónica y siguiendo el método desarrollado por Bader (AIM). Los resultados coincidieron con la rotamería expuesta en nuestros artículos anteriores, encontrando la existencia de puentes de hidrógeno del tipo C-H---O y C-H---Cl, y semipuentes de C-H---N, como se detalla en el texto. De esta manera, la naturaleza de las interacciones atómicas encontradas por resonancia magnética nuclear ha quedado firmemente establecida.]]></p></abstract>
<abstract abstract-type="short" xml:lang="en"><p><![CDATA[Abstract: A review of our papers dealing with the synthesis and spectroscopy of 24 new thiazole derivatives has been made. Many of these compounds presented paramagnetic deviations in their 1H NMR spectra, and this was attributed to hydrogen bond formation. Now we present a theoretical study based on ab initio calculations with the aim of obtaining theoretical evidence about these interactions, on the basis of electronic density, using Bader&#8217;s method (AIM). The results checked with the rotamery proposed in our papers and with the existence of C-H---O and C-H---Cl hydrogen bonds. The formation of C-H---N semibonds was also found, and it is explained in detail. Thus, the nature of the atomic interactions found via nuclear magnetic resonance has been firmly established.]]></p></abstract>
<kwd-group>
<kwd lng="es"><![CDATA[Estructura molecular]]></kwd>
<kwd lng="es"><![CDATA[puentes de hidrógeno]]></kwd>
<kwd lng="es"><![CDATA[resonancia magnética nuclear]]></kwd>
<kwd lng="es"><![CDATA[tiazoles]]></kwd>
<kwd lng="en"><![CDATA[Hydrogen bonds]]></kwd>
<kwd lng="en"><![CDATA[molecular structure]]></kwd>
<kwd lng="en"><![CDATA[nuclear magnetic resonance]]></kwd>
<kwd lng="en"><![CDATA[thiazoles]]></kwd>
</kwd-group>
</article-meta>
</front><back>
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