Limonene: electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, electron scattering, He(I) photoelectron spectroscopy and ab initio calculations
Identifieur interne : 000940 ( Main/Exploration ); précédent : 000939; suivant : 000941Limonene: electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, electron scattering, He(I) photoelectron spectroscopy and ab initio calculations
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Abstract
Electronic state spectroscopy of limonene has been investigated using vacuum ultraviolet photoabsorption spectroscopy in the energy range 5.0-10.8 eV. The availability of a high resolution photon beam (∼0.075 nm) enabled detailed analysis of the vibrational progressions and allowed us to propose, for the first time, new assignments for several Rydberg series. Excited states located in the 7.5-8.4 eV region have been studied for the first time. A He(i) photoelectron spectrum has also been recorded from 8.2 to 9.5 eV and compared to previous low resolution works. A new value of 8.521 ± 0.002 eV for the ground ionic state adiabatic ionisation energy is proposed. Absolute photoabsorption cross sections were derived in the 10-26 eV range from electron scattering data. All spectra presented in this paper represent the highest resolution data yet reported for limonene. These experiments are complemented by new ab initio calculations performed for the three most abundant conformational isomers of limonene, which we then used in the assignment of the spectral bands.
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<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en" level="a">Limonene: electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, electron scattering, He(I) photoelectron spectroscopy and ab initio calculations</title><author><name sortKey="Smialek, M A" uniqKey="Smialek M">M. A. Smialek</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Atomic Physics Division, Department of Atomic Physics and Luminescence, Faculty of Applied Physics and Mathematics, Gdansk University of Technology, Gabriela Narutowicza 11/12</s1><s2>80-952 Gdańsk</s2><s3>POL</s3><sZ>1 aut.</sZ></inist:fA14><country>Pologne</country><wicri:noRegion>80-952 Gdańsk</wicri:noRegion></affiliation></author><author><name sortKey="Hubin Franskin, M J" uniqKey="Hubin Franskin M">M.-J. Hubin-Franskin</name><affiliation wicri:level="4"><inist:fA14 i1="02"><s1>Département de Chimie, Université de Liège, Institut de Chimie-Bât. B6C</s1><s2>4000 Liège</s2><s3>BEL</s3><sZ>2 aut.</sZ><sZ>3 aut.</sZ></inist:fA14><country>Belgique</country><placeName><region type="province" nuts="2">Province de Liège</region><settlement type="city">Liège</settlement></placeName><orgName type="university">Université de Liège</orgName></affiliation></author><author><name sortKey="Delwiche, J" uniqKey="Delwiche J">J. Delwiche</name><affiliation wicri:level="4"><inist:fA14 i1="02"><s1>Département de Chimie, Université de Liège, Institut de Chimie-Bât. B6C</s1><s2>4000 Liège</s2><s3>BEL</s3><sZ>2 aut.</sZ><sZ>3 aut.</sZ></inist:fA14><country>Belgique</country><placeName><region type="province" nuts="2">Province de Liège</region><settlement type="city">Liège</settlement></placeName><orgName type="university">Université de Liège</orgName></affiliation></author><author><name sortKey="Duflot, D" uniqKey="Duflot D">D. Duflot</name><affiliation wicri:level="3"><inist:fA14 i1="03"><s1>Laboratoire de Physique des Lasers, Atomes et Molécules (PhLAM), UMR CNRS 8523, Université Lille1 Sciences et Technologies</s1><s2>59655 Villeneuve d' Ascq</s2><s3>FRA</s3><sZ>4 aut.</sZ></inist:fA14><country>France</country><placeName><region type="region" nuts="2">Nord-Pas-de-Calais</region><settlement type="city">Villeneuve d' Ascq</settlement></placeName></affiliation></author><author><name sortKey="Mason, N J" uniqKey="Mason N">N. J. Mason</name><affiliation wicri:level="1"><inist:fA14 i1="04"><s1>Department of Physics and Astronomy, The Open University, Walton Hall</s1><s2>Milton Keynes, MK7 6AA</s2><s3>GBR</s3><sZ>5 aut.</sZ></inist:fA14><country>Royaume-Uni</country><wicri:noRegion>Milton Keynes, MK7 6AA</wicri:noRegion></affiliation></author><author><name sortKey="Vr Nning Hoffmann, S" uniqKey="Vr Nning Hoffmann S">S. Vr Nning-Hoffmann</name><affiliation wicri:level="1"><inist:fA14 i1="05"><s1>Institute for Storage Ring Facilities, Aarhus University, Ny Munkegade, Building 1520</s1><s2>8000 Aarhus</s2><s3>DNK</s3><sZ>6 aut.</sZ></inist:fA14><country>Danemark</country><wicri:noRegion>8000 Aarhus</wicri:noRegion></affiliation></author><author><name sortKey="De Souza, G G B" uniqKey="De Souza G">G. G. B. De Souza</name><affiliation wicri:level="2"><inist:fA14 i1="06"><s1>Instituto de Química, Universidade Federal do Rio de Janeiro, Ilha do Fundão</s1><s2>21949-900, Rio de Janeiro, RJ</s2><s3>BRA</s3><sZ>7 aut.</sZ><sZ>8 aut.</sZ><sZ>9 aut.</sZ></inist:fA14><country>Brésil</country><placeName><region type="state">État de Rio de Janeiro</region></placeName></affiliation></author><author><name sortKey="Ferreira Rodrigues, A M" uniqKey="Ferreira Rodrigues A">A. M. Ferreira Rodrigues</name><affiliation wicri:level="2"><inist:fA14 i1="06"><s1>Instituto de Química, Universidade Federal do Rio de Janeiro, Ilha do Fundão</s1><s2>21949-900, Rio de Janeiro, RJ</s2><s3>BRA</s3><sZ>7 aut.</sZ><sZ>8 aut.</sZ><sZ>9 aut.</sZ></inist:fA14><country>Brésil</country><placeName><region type="state">État de Rio de Janeiro</region></placeName></affiliation></author><author><name sortKey="Rodrigues, F N" uniqKey="Rodrigues F">F. N. Rodrigues</name><affiliation wicri:level="2"><inist:fA14 i1="06"><s1>Instituto de Química, Universidade Federal do Rio de Janeiro, Ilha do Fundão</s1><s2>21949-900, Rio de Janeiro, RJ</s2><s3>BRA</s3><sZ>7 aut.</sZ><sZ>8 aut.</sZ><sZ>9 aut.</sZ></inist:fA14><country>Brésil</country><placeName><region type="state">État de Rio de Janeiro</region></placeName></affiliation></author><author><name sortKey="Limao Vieira, P" uniqKey="Limao Vieira P">P. Limao-Vieira</name><affiliation wicri:level="1"><inist:fA14 i1="07"><s1>Department of Physics, Universidade Nova de Lisboa</s1><s2>2829-516 Caparica</s2><s3>PRT</s3><sZ>10 aut.</sZ></inist:fA14><country>Portugal</country><wicri:noRegion>2829-516 Caparica</wicri:noRegion></affiliation></author></titleStmt><publicationStmt><idno type="inist">12-0153704</idno><date when="2012">2012</date><idno type="stanalyst">PASCAL 12-0153704 INIST</idno><idno type="RBID">Pascal:12-0153704</idno><idno type="wicri:Area/Main/Corpus">000C44</idno><idno type="wicri:Area/Main/Curation">001C52</idno><idno type="wicri:Area/Main/Exploration">000940</idno></publicationStmt><seriesStmt><idno type="ISSN">1463-9076</idno><title level="j" type="abbreviated">PCCP, Phys. chem. chem. phys. : (Print)</title><title level="j" type="main">PCCP. Physical chemistry chemical physics : (Print)</title></seriesStmt></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>1,8-p-Menthadiene</term><term>Ab initio calculations</term><term>Cross section (collision)</term><term>Electrons</term><term>Energy</term><term>Excited state</term><term>Ground state</term><term>High resolution</term><term>Isomer</term><term>Photoabsorption</term><term>Photoelectron spectrum</term><term>Photon</term><term>Rydberg state</term><term>Theoretical study</term><term>eV range</term></keywords><keywords scheme="Pascal" xml:lang="fr"><term>p-Mentha-1,8-diène</term><term>Haute résolution</term><term>Photoabsorption</term><term>Electron</term><term>Spectre photoélectron</term><term>Calcul ab initio</term><term>Etude théorique</term><term>Energie</term><term>Photon</term><term>Etat Rydberg</term><term>Etat excité</term><term>Etat fondamental</term><term>Section efficace</term><term>Domaine énergie eV</term><term>Isomère</term><term>3115A</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">Electronic state spectroscopy of limonene has been investigated using vacuum ultraviolet photoabsorption spectroscopy in the energy range 5.0-10.8 eV. The availability of a high resolution photon beam (∼0.075 nm) enabled detailed analysis of the vibrational progressions and allowed us to propose, for the first time, new assignments for several Rydberg series. Excited states located in the 7.5-8.4 eV region have been studied for the first time. A He(i) photoelectron spectrum has also been recorded from 8.2 to 9.5 eV and compared to previous low resolution works. A new value of 8.521 ± 0.002 eV for the ground ionic state adiabatic ionisation energy is proposed. Absolute photoabsorption cross sections were derived in the 10-26 eV range from electron scattering data. All spectra presented in this paper represent the highest resolution data yet reported for limonene. These experiments are complemented by new ab initio calculations performed for the three most abundant conformational isomers of limonene, which we then used in the assignment of the spectral bands.</div></front></TEI><inist><standard h6="B"><pA><fA01 i1="01" i2="1"><s0>1463-9076</s0></fA01><fA03 i2="1"><s0>PCCP, Phys. chem. chem. phys. : (Print)</s0></fA03><fA05><s2>14</s2></fA05><fA06><s2>6</s2></fA06><fA08 i1="01" i2="1" l="ENG"><s1>Limonene: electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, electron scattering, He(I) photoelectron spectroscopy and ab initio calculations</s1></fA08><fA11 i1="01" i2="1"><s1>SMIALEK (M. A.)</s1></fA11><fA11 i1="02" i2="1"><s1>HUBIN-FRANSKIN (M.-J.)</s1></fA11><fA11 i1="03" i2="1"><s1>DELWICHE (J.)</s1></fA11><fA11 i1="04" i2="1"><s1>DUFLOT (D.)</s1></fA11><fA11 i1="05" i2="1"><s1>MASON (N. J.)</s1></fA11><fA11 i1="06" i2="1"><s1>VRØNNING-HOFFMANN (S.)</s1></fA11><fA11 i1="07" i2="1"><s1>DE SOUZA (G. G. B.)</s1></fA11><fA11 i1="08" i2="1"><s1>FERREIRA RODRIGUES (A. M.)</s1></fA11><fA11 i1="09" i2="1"><s1>RODRIGUES (F. N.)</s1></fA11><fA11 i1="10" i2="1"><s1>LIMAO-VIEIRA (P.)</s1></fA11><fA14 i1="01"><s1>Atomic Physics Division, Department of Atomic Physics and Luminescence, Faculty of Applied Physics and Mathematics, Gdansk University of Technology, Gabriela Narutowicza 11/12</s1><s2>80-952 Gdańsk</s2><s3>POL</s3><sZ>1 aut.</sZ></fA14><fA14 i1="02"><s1>Département de Chimie, Université de Liège, Institut de Chimie-Bât. B6C</s1><s2>4000 Liège</s2><s3>BEL</s3><sZ>2 aut.</sZ><sZ>3 aut.</sZ></fA14><fA14 i1="03"><s1>Laboratoire de Physique des Lasers, Atomes et Molécules (PhLAM), UMR CNRS 8523, Université Lille1 Sciences et Technologies</s1><s2>59655 Villeneuve d' Ascq</s2><s3>FRA</s3><sZ>4 aut.</sZ></fA14><fA14 i1="04"><s1>Department of Physics and Astronomy, The Open University, Walton Hall</s1><s2>Milton Keynes, MK7 6AA</s2><s3>GBR</s3><sZ>5 aut.</sZ></fA14><fA14 i1="05"><s1>Institute for Storage Ring Facilities, Aarhus University, Ny Munkegade, Building 1520</s1><s2>8000 Aarhus</s2><s3>DNK</s3><sZ>6 aut.</sZ></fA14><fA14 i1="06"><s1>Instituto de Química, Universidade Federal do Rio de Janeiro, Ilha do Fundão</s1><s2>21949-900, Rio de Janeiro, RJ</s2><s3>BRA</s3><sZ>7 aut.</sZ><sZ>8 aut.</sZ><sZ>9 aut.</sZ></fA14><fA14 i1="07"><s1>Department of Physics, Universidade Nova de Lisboa</s1><s2>2829-516 Caparica</s2><s3>PRT</s3><sZ>10 aut.</sZ></fA14><fA20><s1>2056-2064</s1></fA20><fA21><s1>2012</s1></fA21><fA23 i1="01"><s0>ENG</s0></fA23><fA43 i1="01"><s1>INIST</s1><s2>26801</s2><s5>354000508405460250</s5></fA43><fA44><s0>0000</s0><s1>© 2012 INIST-CNRS. All rights reserved.</s1></fA44><fA45><s0>40 ref.</s0></fA45><fA47 i1="01" i2="1"><s0>12-0153704</s0></fA47><fA60><s1>P</s1></fA60><fA61><s0>A</s0></fA61><fA64 i1="01" i2="1"><s0>PCCP. Physical chemistry chemical physics : (Print)</s0></fA64><fA66 i1="01"><s0>GBR</s0></fA66><fC01 i1="01" l="ENG"><s0>Electronic state spectroscopy of limonene has been investigated using vacuum ultraviolet photoabsorption spectroscopy in the energy range 5.0-10.8 eV. The availability of a high resolution photon beam (∼0.075 nm) enabled detailed analysis of the vibrational progressions and allowed us to propose, for the first time, new assignments for several Rydberg series. Excited states located in the 7.5-8.4 eV region have been studied for the first time. A He(i) photoelectron spectrum has also been recorded from 8.2 to 9.5 eV and compared to previous low resolution works. A new value of 8.521 ± 0.002 eV for the ground ionic state adiabatic ionisation energy is proposed. Absolute photoabsorption cross sections were derived in the 10-26 eV range from electron scattering data. All spectra presented in this paper represent the highest resolution data yet reported for limonene. These experiments are complemented by new ab initio calculations performed for the three most abundant conformational isomers of limonene, which we then used in the assignment of the spectral bands.</s0></fC01><fC02 i1="01" i2="X"><s0>001C01</s0></fC02><fC03 i1="01" i2="X" l="FRE"><s0>p-Mentha-1,8-diène</s0><s2>NK</s2><s5>01</s5></fC03><fC03 i1="01" i2="X" l="ENG"><s0>1,8-p-Menthadiene</s0><s2>NK</s2><s5>01</s5></fC03><fC03 i1="01" i2="X" l="SPA"><s0>1,8-p-Mentadieno</s0><s2>NK</s2><s5>01</s5></fC03><fC03 i1="02" i2="X" l="FRE"><s0>Haute résolution</s0><s5>02</s5></fC03><fC03 i1="02" i2="X" l="ENG"><s0>High resolution</s0><s5>02</s5></fC03><fC03 i1="02" i2="X" l="SPA"><s0>Alta resolucion</s0><s5>02</s5></fC03><fC03 i1="03" i2="X" l="FRE"><s0>Photoabsorption</s0><s5>03</s5></fC03><fC03 i1="03" i2="X" l="ENG"><s0>Photoabsorption</s0><s5>03</s5></fC03><fC03 i1="03" i2="X" l="SPA"><s0>Fotoabsorción</s0><s5>03</s5></fC03><fC03 i1="04" i2="X" l="FRE"><s0>Electron</s0><s5>04</s5></fC03><fC03 i1="04" i2="X" l="ENG"><s0>Electrons</s0><s5>04</s5></fC03><fC03 i1="04" i2="X" l="SPA"><s0>Electrón</s0><s5>04</s5></fC03><fC03 i1="05" i2="X" l="FRE"><s0>Spectre photoélectron</s0><s5>05</s5></fC03><fC03 i1="05" i2="X" l="ENG"><s0>Photoelectron spectrum</s0><s5>05</s5></fC03><fC03 i1="05" i2="X" l="SPA"><s0>Espectro fotoelectrones</s0><s5>05</s5></fC03><fC03 i1="06" i2="3" l="FRE"><s0>Calcul ab initio</s0><s5>06</s5></fC03><fC03 i1="06" i2="3" l="ENG"><s0>Ab initio calculations</s0><s5>06</s5></fC03><fC03 i1="07" i2="X" l="FRE"><s0>Etude théorique</s0><s5>07</s5></fC03><fC03 i1="07" i2="X" l="ENG"><s0>Theoretical study</s0><s5>07</s5></fC03><fC03 i1="07" i2="X" l="SPA"><s0>Estudio teórico</s0><s5>07</s5></fC03><fC03 i1="08" i2="X" l="FRE"><s0>Energie</s0><s5>08</s5></fC03><fC03 i1="08" i2="X" l="ENG"><s0>Energy</s0><s5>08</s5></fC03><fC03 i1="08" i2="X" l="SPA"><s0>Energía</s0><s5>08</s5></fC03><fC03 i1="09" i2="X" l="FRE"><s0>Photon</s0><s5>09</s5></fC03><fC03 i1="09" i2="X" l="ENG"><s0>Photon</s0><s5>09</s5></fC03><fC03 i1="09" i2="X" l="SPA"><s0>Fotón</s0><s5>09</s5></fC03><fC03 i1="10" i2="X" l="FRE"><s0>Etat Rydberg</s0><s5>10</s5></fC03><fC03 i1="10" i2="X" l="ENG"><s0>Rydberg state</s0><s5>10</s5></fC03><fC03 i1="10" i2="X" l="SPA"><s0>Estado Rydberg</s0><s5>10</s5></fC03><fC03 i1="11" i2="X" l="FRE"><s0>Etat excité</s0><s5>11</s5></fC03><fC03 i1="11" i2="X" l="ENG"><s0>Excited state</s0><s5>11</s5></fC03><fC03 i1="11" i2="X" l="SPA"><s0>Estado excitado</s0><s5>11</s5></fC03><fC03 i1="12" i2="X" l="FRE"><s0>Etat fondamental</s0><s5>12</s5></fC03><fC03 i1="12" i2="X" l="ENG"><s0>Ground state</s0><s5>12</s5></fC03><fC03 i1="12" i2="X" l="SPA"><s0>Estado fundamental</s0><s5>12</s5></fC03><fC03 i1="13" i2="X" l="FRE"><s0>Section efficace</s0><s5>13</s5></fC03><fC03 i1="13" i2="X" l="ENG"><s0>Cross section (collision)</s0><s5>13</s5></fC03><fC03 i1="13" i2="X" l="SPA"><s0>Sección eficaz</s0><s5>13</s5></fC03><fC03 i1="14" i2="3" l="FRE"><s0>Domaine énergie eV</s0><s5>14</s5></fC03><fC03 i1="14" i2="3" l="ENG"><s0>eV range</s0><s5>14</s5></fC03><fC03 i1="15" i2="X" l="FRE"><s0>Isomère</s0><s5>15</s5></fC03><fC03 i1="15" i2="X" l="ENG"><s0>Isomer</s0><s5>15</s5></fC03><fC03 i1="15" i2="X" l="SPA"><s0>Isómero</s0><s5>15</s5></fC03><fC03 i1="16" i2="X" l="FRE"><s0>3115A</s0><s4>INC</s4><s5>32</s5></fC03><fN21><s1>114</s1></fN21><fN44 i1="01"><s1>OTO</s1></fN44><fN82><s1>OTO</s1></fN82></pA></standard></inist></record>Pour manipuler ce document sous Unix (Dilib)
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