<?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>0035-001X</journal-id>
<journal-title><![CDATA[Revista mexicana de física]]></journal-title>
<abbrev-journal-title><![CDATA[Rev. mex. fis.]]></abbrev-journal-title>
<issn>0035-001X</issn>
<publisher>
<publisher-name><![CDATA[Sociedad Mexicana de Física]]></publisher-name>
</publisher>
</journal-meta>
<article-meta>
<article-id>S0035-001X2023000600202</article-id>
<article-id pub-id-type="doi">10.31349/revmexfis.69.060502</article-id>
<title-group>
<article-title xml:lang="en"><![CDATA[Pressure dependence on Raman spectra of the molecular crystal 4-(benzenesulfonyl)-morpholine]]></article-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Toledo]]></surname>
<given-names><![CDATA[T. A. De]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Silva]]></surname>
<given-names><![CDATA[E. D.]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Faria]]></surname>
<given-names><![CDATA[J. L. B. de]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Silva]]></surname>
<given-names><![CDATA[L. E. Da]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Pizani]]></surname>
<given-names><![CDATA[P. S.]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
</contrib-group>
<aff id="Af1">
<institution><![CDATA[,Universidade Federal de Mato Grosso Faculdade de Engenharia ]]></institution>
<addr-line><![CDATA[Cuiabá MT]]></addr-line>
<country>Brazil</country>
</aff>
<aff id="Af2">
<institution><![CDATA[,Universidade Federal de Mato Grosso Instituto de Física ]]></institution>
<addr-line><![CDATA[Cuiabá MT]]></addr-line>
<country>Brazil</country>
</aff>
<aff id="Af3">
<institution><![CDATA[,Universidade Federal de Mato Grosso Departamento de Engenharia Eletrica ]]></institution>
<addr-line><![CDATA[Cuiabá MT]]></addr-line>
<country>Brazil</country>
</aff>
<aff id="Af4">
<institution><![CDATA[,Universidade Federal do Parana Setor Litoral  ]]></institution>
<addr-line><![CDATA[Matinhos PR]]></addr-line>
<country>Brazil</country>
</aff>
<aff id="Af5">
<institution><![CDATA[,Universidade Federal de São Carlos Departamento de Física ]]></institution>
<addr-line><![CDATA[Sao Carlos SP]]></addr-line>
<country>Brazil</country>
</aff>
<pub-date pub-type="pub">
<day>00</day>
<month>12</month>
<year>2023</year>
</pub-date>
<pub-date pub-type="epub">
<day>00</day>
<month>12</month>
<year>2023</year>
</pub-date>
<volume>69</volume>
<numero>6</numero>
<copyright-statement/>
<copyright-year/>
<self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_arttext&amp;pid=S0035-001X2023000600202&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_abstract&amp;pid=S0035-001X2023000600202&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_pdf&amp;pid=S0035-001X2023000600202&amp;lng=en&amp;nrm=iso"></self-uri><abstract abstract-type="short" xml:lang="en"><p><![CDATA[Abstract The structural and vibrational properties of 4-(benzenesulfonyl)-morpholine, C10H13NO3S, have been studied using multinuclear (1H and 13 C) NMR, IR and Raman spectroscopy techniques at pressures up to 3.2 GPa, as well as molecular modeling and vibrational mode assignment using DFT calculations with B3LYP functional and 6-31G (d,p) basis set and potential energy distribution (PED). Experimental and calculated spectra were compared and showed good accuracy. The sample was subjected to high pressure in the range of 0 to 3.2 GPa. The pressure measurements suggest a conformational transition for values around 0.7, 1.7 and 2.5 GPa, which was observed in some spectral regions, mainly in the high energy vibrational bands.]]></p></abstract>
<kwd-group>
<kwd lng="en"><![CDATA[4-(benzenesulfonyl)-morpholine]]></kwd>
<kwd lng="en"><![CDATA[high-pressure]]></kwd>
<kwd lng="en"><![CDATA[spectroscopy studies]]></kwd>
<kwd lng="en"><![CDATA[DFT calculations]]></kwd>
</kwd-group>
</article-meta>
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