IndiumV3, Chine, Analysis, bibRecord, 001A17

Experimental and theoretical studies of the propargyl-allenylindium system

Identifieur interne : 001A17 ( Chine/Analysis ); précédent : 001A16; suivant : 001A18

Experimental and theoretical studies of the propargyl-allenylindium system

Auteurs : RBID : Pascal:05-0008164

Descripteurs français

Pascal (Inist)
- Etude théorique, Calcul ab initio, Méthode Hartree Fock, Méthode fonctionnelle densité, Etude expérimentale, Addition chimique, Hydrocarbure bromé, Composé acétylénique, Intermédiaire réaction, Structure moléculaire, Spectrométrie RMN, Propyne(3-bromo), Indium(propargyl), Indium(allényl).

English descriptors

KwdEn :
- Ab initio calculations, Acetylenic compound, Addition reaction, Bromocarbon, Density functional method, Experimental study, Hartree Fock method, Molecular structure, NMR spectrometry, Reaction intermediate, Theoretical study.

Abstract

The transient organoindium intermediates formed in the reaction of propargyl bromide with indium in aqueous media and tetrahydrofuran were investigated by NMR spectroscopy and found to be allenylindium(I) and allenylindium(III) dibromide. The influence of solvent and methyl substitution on the propargyl-allenylindium system was also studied. The experimental observations were supported by theoretical calculations using the B3LYP/6-311+G* method.

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Pascal:05-0008164

Le document en format XML

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<author><name>WEISHI MIAO</name>
<affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Department of Chemistry, McGill University</s1>
<s2>Montreal, Quebec, H3A 2K6</s2>
<s3>CAN</s3>
<sZ>1 aut.</sZ>
<sZ>4 aut.</sZ>
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<country>Canada</country>
<wicri:noRegion>Montreal, Quebec, H3A 2K6</wicri:noRegion>
</affiliation>
</author>
<author><name>LUNG WA CHUNG</name>
<affiliation wicri:level="1"><inist:fA14 i1="02"><s1>Department of Chemistry, Hong Kong University of Science and Technology</s1>
<s3>CHN</s3>
<sZ>2 aut.</sZ>
<sZ>3 aut.</sZ>
</inist:fA14>
<country>République populaire de Chine</country>
<wicri:noRegion>Department of Chemistry, Hong Kong University of Science and Technology</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Wu, Yun Dong" uniqKey="Wu Y">Yun-Dong Wu</name>
<affiliation wicri:level="1"><inist:fA14 i1="02"><s1>Department of Chemistry, Hong Kong University of Science and Technology</s1>
<s3>CHN</s3>
<sZ>2 aut.</sZ>
<sZ>3 aut.</sZ>
</inist:fA14>
<country>République populaire de Chine</country>
<wicri:noRegion>Department of Chemistry, Hong Kong University of Science and Technology</wicri:noRegion>
</affiliation>
</author>
<author><name>TAK HANG CHAN</name>
<affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Department of Chemistry, McGill University</s1>
<s2>Montreal, Quebec, H3A 2K6</s2>
<s3>CAN</s3>
<sZ>1 aut.</sZ>
<sZ>4 aut.</sZ>
</inist:fA14>
<country>Canada</country>
<wicri:noRegion>Montreal, Quebec, H3A 2K6</wicri:noRegion>
</affiliation>
</author>
</titleStmt>
<publicationStmt><idno type="inist">05-0008164</idno>
<date when="2004">2004</date>
<idno type="stanalyst">PASCAL 05-0008164 INIST</idno>
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<idno type="wicri:Area/Chine/Extraction">001A17</idno>
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<seriesStmt><idno type="ISSN">0002-7863</idno>
<title level="j" type="abbreviated">J. Am. Chem. Soc.</title>
<title level="j" type="main">Journal of the American Chemical Society</title>
</seriesStmt>
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<profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Ab initio calculations</term>
<term>Acetylenic compound</term>
<term>Addition reaction</term>
<term>Bromocarbon</term>
<term>Density functional method</term>
<term>Experimental study</term>
<term>Hartree Fock method</term>
<term>Molecular structure</term>
<term>NMR spectrometry</term>
<term>Reaction intermediate</term>
<term>Theoretical study</term>
</keywords>
<keywords scheme="Pascal" xml:lang="fr"><term>Etude théorique</term>
<term>Calcul ab initio</term>
<term>Méthode Hartree Fock</term>
<term>Méthode fonctionnelle densité</term>
<term>Etude expérimentale</term>
<term>Addition chimique</term>
<term>Hydrocarbure bromé</term>
<term>Composé acétylénique</term>
<term>Intermédiaire réaction</term>
<term>Structure moléculaire</term>
<term>Spectrométrie RMN</term>
<term>Propyne(3-bromo)</term>
<term>Indium(propargyl)</term>
<term>Indium(allényl)</term>
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<front><div type="abstract" xml:lang="en">The transient organoindium intermediates formed in the reaction of propargyl bromide with indium in aqueous media and tetrahydrofuran were investigated by NMR spectroscopy and found to be allenylindium(I) and allenylindium(III) dibromide. The influence of solvent and methyl substitution on the propargyl-allenylindium system was also studied. The experimental observations were supported by theoretical calculations using the B3LYP/6-311+G* method.</div>
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<fA06><s2>41</s2>
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<fA08 i1="01" i2="1" l="ENG"><s1>Experimental and theoretical studies of the propargyl-allenylindium system</s1>
</fA08>
<fA11 i1="01" i2="1"><s1>WEISHI MIAO</s1>
</fA11>
<fA11 i1="02" i2="1"><s1>LUNG WA CHUNG</s1>
</fA11>
<fA11 i1="03" i2="1"><s1>WU (Yun-Dong)</s1>
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<fA11 i1="04" i2="1"><s1>TAK HANG CHAN</s1>
</fA11>
<fA14 i1="01"><s1>Department of Chemistry, McGill University</s1>
<s2>Montreal, Quebec, H3A 2K6</s2>
<s3>CAN</s3>
<sZ>1 aut.</sZ>
<sZ>4 aut.</sZ>
</fA14>
<fA14 i1="02"><s1>Department of Chemistry, Hong Kong University of Science and Technology</s1>
<s3>CHN</s3>
<sZ>2 aut.</sZ>
<sZ>3 aut.</sZ>
</fA14>
<fA20><s1>13326-13334</s1>
</fA20>
<fA21><s1>2004</s1>
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<fA23 i1="01"><s0>ENG</s0>
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<fA60><s1>P</s1>
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<fA64 i1="01" i2="1"><s0>Journal of the American Chemical Society</s0>
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<fA66 i1="01"><s0>USA</s0>
</fA66>
<fC01 i1="01" l="ENG"><s0>The transient organoindium intermediates formed in the reaction of propargyl bromide with indium in aqueous media and tetrahydrofuran were investigated by NMR spectroscopy and found to be allenylindium(I) and allenylindium(III) dibromide. The influence of solvent and methyl substitution on the propargyl-allenylindium system was also studied. The experimental observations were supported by theoretical calculations using the B3LYP/6-311+G* method.</s0>
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<s5>01</s5>
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<fC03 i1="02" i2="3" l="FRE"><s0>Calcul ab initio</s0>
<s5>02</s5>
</fC03>
<fC03 i1="02" i2="3" l="ENG"><s0>Ab initio calculations</s0>
<s5>02</s5>
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<s5>03</s5>
</fC03>
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<s5>03</s5>
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<s5>03</s5>
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<s5>05</s5>
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<s5>05</s5>
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<s5>05</s5>
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<s5>06</s5>
</fC03>
<fC03 i1="06" i2="X" l="ENG"><s0>Addition reaction</s0>
<s5>06</s5>
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<fC03 i1="06" i2="X" l="SPA"><s0>Adición química</s0>
<s5>06</s5>
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<fC03 i1="07" i2="X" l="FRE"><s0>Hydrocarbure bromé</s0>
<s5>07</s5>
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<s5>07</s5>
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<s5>08</s5>
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<fC03 i1="08" i2="X" l="SPA"><s0>Compuesto acetilénico</s0>
<s5>08</s5>
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<fC03 i1="09" i2="X" l="FRE"><s0>Intermédiaire réaction</s0>
<s5>10</s5>
</fC03>
<fC03 i1="09" i2="X" l="ENG"><s0>Reaction intermediate</s0>
<s5>10</s5>
</fC03>
<fC03 i1="09" i2="X" l="SPA"><s0>Intermediario reacción</s0>
<s5>10</s5>
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<fC03 i1="10" i2="X" l="FRE"><s0>Structure moléculaire</s0>
<s5>11</s5>
</fC03>
<fC03 i1="10" i2="X" l="ENG"><s0>Molecular structure</s0>
<s5>11</s5>
</fC03>
<fC03 i1="10" i2="X" l="SPA"><s0>Estructura molecular</s0>
<s5>11</s5>
</fC03>
<fC03 i1="11" i2="X" l="FRE"><s0>Spectrométrie RMN</s0>
<s5>12</s5>
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<fC03 i1="11" i2="X" l="ENG"><s0>NMR spectrometry</s0>
<s5>12</s5>
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<fC03 i1="11" i2="X" l="SPA"><s0>Espectrometría RMN</s0>
<s5>12</s5>
</fC03>
<fC03 i1="12" i2="X" l="FRE"><s0>Propyne(3-bromo)</s0>
<s1>ENT</s1>
<s2>NK</s2>
<s4>INC</s4>
<s5>32</s5>
</fC03>
<fC03 i1="13" i2="X" l="FRE"><s0>Indium(propargyl)</s0>
<s2>NK</s2>
<s4>INC</s4>
<s5>34</s5>
</fC03>
<fC03 i1="14" i2="X" l="FRE"><s0>Indium(allényl)</s0>
<s2>NK</s2>
<s4>INC</s4>
<s5>36</s5>
</fC03>
<fC07 i1="01" i2="X" l="FRE"><s0>Indium Composé organique</s0>
<s2>NC</s2>
<s2>NA</s2>
<s5>09</s5>
</fC07>
<fC07 i1="01" i2="X" l="ENG"><s0>Indium Organic compounds</s0>
<s2>NC</s2>
<s2>NA</s2>
<s5>09</s5>
</fC07>
<fC07 i1="01" i2="X" l="SPA"><s0>Indio Compuesto orgánico</s0>
<s2>NC</s2>
<s2>NA</s2>
<s5>09</s5>
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<fN82><s1>PSI</s1>
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</standard>
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Experimental and theoretical studies of the propargyl-allenylindium system

Experimental and theoretical studies of the propargyl-allenylindium system

Descripteurs français

English descriptors

Abstract

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Links to Exploration step

Le document en format XML

Pour manipuler ce document sous Unix (Dilib)

Pour mettre un lien sur cette page dans le réseau Wicri