1 Ocak 2015 Dergi makalesi Açık Erişim

Kara, Izzet; Kara, Yesim; Kiraz, Asli Ozturk; Mammadov, Ramazan

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  <identifier identifierType="URL">https://aperta.ulakbim.gov.tr/record/81961</identifier>
  <creators>
    <creator>
      <creatorName>Kara, Izzet</creatorName>
      <givenName>Izzet</givenName>
      <familyName>Kara</familyName>
      <affiliation>Pamukkale Univ, Fac Educ, Dept Sci Educ, TR-20070 Kinikli, Denizli, Turkey</affiliation>
    </creator>
    <creator>
      <creatorName>Kara, Yesim</creatorName>
      <givenName>Yesim</givenName>
      <familyName>Kara</familyName>
      <affiliation>Pamukkale Univ, Fac Arts &amp; Sci, Dept Biol, TR-20017 Kinikli, Denizli, Turkey</affiliation>
    </creator>
    <creator>
      <creatorName>Kiraz, Asli Ozturk</creatorName>
      <givenName>Asli Ozturk</givenName>
      <familyName>Kiraz</familyName>
      <affiliation>Pamukkale Univ, Fac Arts &amp; Sci, Dept Phys, TR-20017 Kinikli, Denizli, Turkey</affiliation>
    </creator>
    <creator>
      <creatorName>Mammadov, Ramazan</creatorName>
      <givenName>Ramazan</givenName>
      <familyName>Mammadov</familyName>
      <affiliation>Pamukkale Univ, Fac Arts &amp; Sci, Dept Phys, TR-20017 Kinikli, Denizli, Turkey</affiliation>
    </creator>
  </creators>
  <titles>
    <title>Theoretical Calculations Of A Compound Formed By Fe+3 And Tris(Catechol)</title>
  </titles>
  <publisher>Aperta</publisher>
  <publicationYear>2015</publicationYear>
  <dates>
    <date dateType="Issued">2015-01-01</date>
  </dates>
  <resourceType resourceTypeGeneral="Text">Journal article</resourceType>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://aperta.ulakbim.gov.tr/record/81961</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsIdenticalTo">10.1016/j.saa.2015.04.058</relatedIdentifier>
  </relatedIdentifiers>
  <rightsList>
    <rights rightsURI="http://www.opendefinition.org/licenses/cc-by">Creative Commons Attribution</rights>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
  </rightsList>
  <descriptions>
    <description descriptionType="Abstract">Phenolic compounds generally have special smell, easily soluble in water, organic solvents (alcohols, esters, chloroform, ethyl acetate), in aqueous solutions of bases, colorless or colorful, crystalline and amorphous materials. Phenols form colorful complexes when they form compounds with heavy metals. In this study, the structural properties of a compound formed by catechol and Fe+3 are investigated theoretically. The electronic and thermodynamic properties of the complex were also investigated in gas phase and organic solvents at B3LYP/6-31+G(d,p) and B3LYP/6-311++G(d,p) basis set. The formation of Fe-tris(catechol) complex compound is exothermic, and it is difficult to obtain the complex as the temperature increases. The observed and calculated FT-IR and geometric parameters spectra are in good agreement with empirical. (C) 2015 Elsevier B.V. All rights reserved.</description>
  </descriptions>
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