1 Ocak 2012 Dergi makalesi Açık Erişim

Unsalan, O.; Szolnoki, B.; Toldy, A.; Marosi, G.

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  <identifier identifierType="URL">https://aperta.ulakbim.gov.tr/record/84925</identifier>
  <creators>
    <creator>
      <creatorName>Unsalan, O.</creatorName>
      <givenName>O.</givenName>
      <familyName>Unsalan</familyName>
      <affiliation>Istanbul Univ, Fac Sci, Dept Phys, Atom &amp; Mol Phys Div, TR-34134 Istanbul, Turkey</affiliation>
    </creator>
    <creator>
      <creatorName>Szolnoki, B.</creatorName>
      <givenName>B.</givenName>
      <familyName>Szolnoki</familyName>
      <affiliation>Budapest Univ Technol &amp; Econ, Fac Chem &amp; Bioengn, Dept Organ Chem &amp; Technol, H-1111 Budapest, Hungary</affiliation>
    </creator>
    <creator>
      <creatorName>Toldy, A.</creatorName>
      <givenName>A.</givenName>
      <familyName>Toldy</familyName>
    </creator>
    <creator>
      <creatorName>Marosi, G.</creatorName>
      <givenName>G.</givenName>
      <familyName>Marosi</familyName>
      <affiliation>Budapest Univ Technol &amp; Econ, Fac Chem &amp; Bioengn, Dept Organ Chem &amp; Technol, H-1111 Budapest, Hungary</affiliation>
    </creator>
  </creators>
  <titles>
    <title>Ft-Ir Spectral, Dft Studies And Detailed Vibrational Assignment On N,N ',N ''-Tris(2-Aminoethyl)-Phosphoric Acid Triamide</title>
  </titles>
  <publisher>Aperta</publisher>
  <publicationYear>2012</publicationYear>
  <dates>
    <date dateType="Issued">2012-01-01</date>
  </dates>
  <resourceType resourceTypeGeneral="Text">Journal article</resourceType>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://aperta.ulakbim.gov.tr/record/84925</alternateIdentifier>
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  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsIdenticalTo">10.1016/j.saa.2012.08.050</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">Structure of N,N',N ''-tris(2-aminoethyl)-phosphoric acid triamide (TEDAP), which is a phosphorus-containing reactive amine crosslinking agent and flame retardant material as well, identified by Fourier transform infrared (FT-IR) spectroscopy and quantum chemical calculations. The FT-IR spectrum of TEDAP, being a recently synthesized new compound, has been recorded in the 4000-650 cm(-1) region for the first time. The molecular geometry and vibrational wavenumbers of the compound in its ground state have been calculated by using Density Functional Theory (DFT) using B3LYP functional with 6-311++G(d,p) basis set. All calculations were performed with Gaussian09 software. The obtained vibrational wavenumbers and optimized geometric parameters were seen to be in good agreement with the experimental data. Furthermore, assignments of each vibrational mode were interpreted in terms of potential energy distributions (PED) in detail. (C) 2012 Elsevier B.V. All rights reserved.</description>
  </descriptions>
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