AustralieFrV1, PascalFrancis, Curation, bibRecord, 004405

nσ* and πσ* excited states in aryl halide photochemistry: a comprehensive study of the UV photodissociation dynamics ofiodobenzene

Identifieur interne : 004405 ( PascalFrancis/Curation ); précédent : 004404; suivant : 004406

nσ* and πσ* excited states in aryl halide photochemistry: a comprehensive study of the UV photodissociation dynamics ofiodobenzene

Auteurs : Alan G. Sage [Royaume-Uni] ; Thomas A. A. Oliver [Royaume-Uni] ; Daniel Murdock [Royaume-Uni] ; Martin B. Crow ; Grant A. D. Ritchie ; Jeremy N. Harvey [Royaume-Uni] ; Michael N. R. Ashfold [Royaume-Uni]

Source :

PCCP. Physical chemistry chemical physics : (Print) [ 1463-9076 ] ; 2011.

RBID : Pascal:11-0307599

Descripteurs français

Pascal (Inist)
- Etat excité, Aryle, Halogénure, Photochimie, Photodissociation, Dynamique, Article synthèse, Dissociation moléculaire, Excitation impact électron, Orbitale, Hydrure, Vitesse déplacement, Ion, Formation image, Laser IR, Structure électronique, Calcul ab initio, Phase gazeuse, Distribution angulaire, Photolyse, Longueur onde, Fragment, pH, Etat vibrationnel, Spin, Rapport branchement, Iode, Surface énergie potentielle, Energie, Anisotropie, 3380G, 3115A.
Wicri :
- topic : Photochimie, Iode.

English descriptors

KwdEn :
- Ab initio calculations, Angular distribution, Anisotropy, Aryl, Branching ratio, Dynamics, Electron impact excitation, Electronic structure, Energy, Excited state, Fragment, Gas phase, Halides, Hydrides, Imaging, Infrared laser, Iodine, Ions, Molecular dissociation, Orbital, Photochemistry, Photodissociation, Photolysis, Potential energy surfaces, Review, Speed, Spin, Vibrational states, Wavelength, pH.

Abstract

A recent review (Ashfold et al., Phys. Chem. Chem. Phys., 2010, 12, 1218) highlighted the important role of dissociative excited states formed by electron promotion to σ^* orbitals in establishing the photochemistry of many molecular hydrides. Here we extend such considerations to molecular halides, with a particular focus on iodobenzene. Two experimental techniques (velocity mapped ion imaging (VMI) and time resolved infrared (IR) diode laser absorption) and electronic structure calculations have been employed in a comprehensive study of the near ultraviolet (UV) photodissociation of gas phase iodobenzene molecules. The VMI studies yield the speeds and angular distributions of the I(²P_3/2) and I^*(²P_1/2) photofragments formed by photolysis in the wavelength range 330 ≥ λ ≥ 206 nm. Four distinct dissociation channels are observed for the I(²P_3/2) atom products, and a further three channels for the I^*(²P_1/2) fragments. The phenyl (Ph) radical partners formed via one particular I^* product channel following excitation at wavelengths 305 ≥ λ ≥ 250 nm are distributed over a sufficiently select sub-set of vibrational (v) states that the images allow resolution of specific I^* + Ph(v) channels, identification of the active product mode (v₁₀, an in-plane ring breathing mode), and a refined determination of D₀(Ph-I) = 23 390 ± 50 cm^-1. The time-resolved IR absorption studies allow determination of the spin-orbit branching ratio in the iodine atom products formed at λ = 248 nm (φ_I*= [I^*]/([I] + [I^*]) = 0.28 ± 0.04) and at 266 nm (φ_I* = 0.32 ± 0.05). The complementary high-level, spin-orbit resolved ab initio calculations of sections (along the C-I bond coordinate) through the ground and first 19 excited state potential energy surfaces (PESs) reveal numerous excited states in the energy range of current interest. Except at the very shortest wavelength, however, all of the observed I and I^* products display limiting or near limiting parallel recoil anisotropy. This encourages discussion of the fragmentation dynamics in terms of excitation to states of A₁ total symmetry and dissociation on the 2A, and 4A, (σ^* ← n/π) PESs to yield, respectively, I and I^* products, or via non-adiabatic coupling to other σ^* ← n/π PESs that correlate to these respective limits. Similarities (and differences) with the available UV photochemical data for the other aryl halides, and with the simpler (and more thoroughly studied) iodides HI and CH₃I, are summarised.

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A09	`01`	`1`	`ENG`	`@1 Molecular Collision Dynamics`
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A11	`02`	`1`		`@1 OLIVER (Thomas A. A.)`
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A11	`06`	`1`		`@1 HARVEY (Jeremy N.)`
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A12	`04`	`1`		`@1 NESBITT (David) @9 ed.`
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A15	`01`			`@1 Università degli Studi di Perugia, Dipartimento di Chimica, via Elce dio Sotto, 8 @2 06123 Perugia @3 ITA @Z 1 aut.`
A15	`02`			`@1 Oxford University, Department of Chemistry, The Physical and Theoretical Chemistry Laboratory, South Parks Road @2 Oxford, OX1 3QZ @3 GBR @Z 2 aut.`
A15	`03`			`@1 Université Bordeaux 1/CNRS UMR 5255, Institut des Sciences Moléculaires @2 33405 Talence @3 FRA @Z 3 aut.`
A15	`04`			`@1 JILA/NIST, Department of Chemistry and Biochemistry, University of Colorado, @2 Boulder, CO, 80309 @3 USA @Z 4 aut.`
A15	`05`			`@1 University of Melbourne, School of Chemistry @3 AUS @Z 5 aut.`
A15	`06`			`@1 University of Sydney, School of Chemistry @3 AUS @Z 6 aut.`
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A21				`@1 2011`
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C01	`01`		`ENG`	@0 A recent review (Ashfold et al., Phys. Chem. Chem. Phys., 2010, 12, 1218) highlighted the important role of dissociative excited states formed by electron promotion to σ^* orbitals in establishing the photochemistry of many molecular hydrides. Here we extend such considerations to molecular halides, with a particular focus on iodobenzene. Two experimental techniques (velocity mapped ion imaging (VMI) and time resolved infrared (IR) diode laser absorption) and electronic structure calculations have been employed in a comprehensive study of the near ultraviolet (UV) photodissociation of gas phase iodobenzene molecules. The VMI studies yield the speeds and angular distributions of the I(²P_3/2) and I^(²P_1/2) photofragments formed by photolysis in the wavelength range 330 ≥ λ ≥ 206 nm. Four distinct dissociation channels are observed for the I(²P_3/2) atom products, and a further three channels for the I^(²P_1/2) fragments. The phenyl (Ph) radical partners formed via one particular I^* product channel following excitation at wavelengths 305 ≥ λ ≥ 250 nm are distributed over a sufficiently select sub-set of vibrational (v) states that the images allow resolution of specific I^* + Ph(v) channels, identification of the active product mode (v₁₀, an in-plane ring breathing mode), and a refined determination of D₀(Ph-I) = 23 390 ± 50 cm^-1. The time-resolved IR absorption studies allow determination of the spin-orbit branching ratio in the iodine atom products formed at λ = 248 nm (φ_I= [I^]/([I] + [I^]) = 0.28 ± 0.04) and at 266 nm (φ_I = 0.32 ± 0.05). The complementary high-level, spin-orbit resolved ab initio calculations of sections (along the C-I bond coordinate) through the ground and first 19 excited state potential energy surfaces (PESs) reveal numerous excited states in the energy range of current interest. Except at the very shortest wavelength, however, all of the observed I and I^* products display limiting or near limiting parallel recoil anisotropy. This encourages discussion of the fragmentation dynamics in terms of excitation to states of A₁ total symmetry and dissociation on the 2A, and 4A, (σ^* ← n/π) PESs to yield, respectively, I and I^* products, or via non-adiabatic coupling to other σ^* ← n/π PESs that correlate to these respective limits. Similarities (and differences) with the available UV photochemical data for the other aryl halides, and with the simpler (and more thoroughly studied) iodides HI and CH₃I, are summarised.
C02	`01`	`X`		`@0 001C01F01`
C03	`01`	`X`	`FRE`	`@0 Etat excité @5 01`
C03	`01`	`X`	`ENG`	`@0 Excited state @5 01`
C03	`01`	`X`	`SPA`	`@0 Estado excitado @5 01`
C03	`02`	`X`	`FRE`	`@0 Aryle @5 02`
C03	`02`	`X`	`ENG`	`@0 Aryl @5 02`
C03	`02`	`X`	`SPA`	`@0 Arilo @5 02`
C03	`03`	`X`	`FRE`	`@0 Halogénure @2 NA @5 03`
C03	`03`	`X`	`ENG`	`@0 Halides @2 NA @5 03`
C03	`03`	`X`	`SPA`	`@0 Haluro @2 NA @5 03`
C03	`04`	`X`	`FRE`	`@0 Photochimie @5 04`
C03	`04`	`X`	`ENG`	`@0 Photochemistry @5 04`
C03	`04`	`X`	`SPA`	`@0 Fotoquímica @5 04`
C03	`05`	`X`	`FRE`	`@0 Photodissociation @5 05`
C03	`05`	`X`	`ENG`	`@0 Photodissociation @5 05`
C03	`05`	`X`	`SPA`	`@0 Fotodisociación @5 05`
C03	`06`	`X`	`FRE`	`@0 Dynamique @5 06`
C03	`06`	`X`	`ENG`	`@0 Dynamics @5 06`
C03	`06`	`X`	`SPA`	`@0 Dinámica @5 06`
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C03	`08`	`X`	`FRE`	`@0 Dissociation moléculaire @5 08`
C03	`08`	`X`	`ENG`	`@0 Molecular dissociation @5 08`
C03	`08`	`X`	`SPA`	`@0 Disociación molecular @5 08`
C03	`09`	`3`	`FRE`	`@0 Excitation impact électron @5 09`
C03	`09`	`3`	`ENG`	`@0 Electron impact excitation @5 09`
C03	`10`	`X`	`FRE`	`@0 Orbitale @5 10`
C03	`10`	`X`	`ENG`	`@0 Orbital @5 10`
C03	`10`	`X`	`SPA`	`@0 Orbital @5 10`
C03	`11`	`X`	`FRE`	`@0 Hydrure @2 NA @5 11`
C03	`11`	`X`	`ENG`	`@0 Hydrides @2 NA @5 11`
C03	`11`	`X`	`SPA`	`@0 Hidruro @2 NA @5 11`
C03	`12`	`X`	`FRE`	`@0 Vitesse déplacement @5 12`
C03	`12`	`X`	`ENG`	`@0 Speed @5 12`
C03	`12`	`X`	`SPA`	`@0 Velocidad desplazamiento @5 12`
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C03	`19`	`X`	`ENG`	`@0 Angular distribution @5 19`
C03	`19`	`X`	`SPA`	`@0 Distribución angular @5 19`
C03	`20`	`X`	`FRE`	`@0 Photolyse @5 20`
C03	`20`	`X`	`ENG`	`@0 Photolysis @5 20`
C03	`20`	`X`	`SPA`	`@0 Fotolisis @5 20`
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C03	`26`	`X`	`FRE`	`@0 Rapport branchement @5 26`
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C03	`26`	`X`	`SPA`	`@0 Relación ramificación @5 26`
C03	`27`	`X`	`FRE`	`@0 Iode @2 NC @5 27`
C03	`27`	`X`	`ENG`	`@0 Iodine @2 NC @5 27`
C03	`27`	`X`	`SPA`	`@0 Iodo @2 NC @5 27`
C03	`28`	`3`	`FRE`	`@0 Surface énergie potentielle @5 28`
C03	`28`	`3`	`ENG`	`@0 Potential energy surfaces @5 28`
C03	`29`	`X`	`FRE`	`@0 Energie @5 29`
C03	`29`	`X`	`ENG`	`@0 Energy @5 29`
C03	`29`	`X`	`SPA`	`@0 Energía @5 29`
C03	`30`	`X`	`FRE`	`@0 Anisotropie @5 30`
C03	`30`	`X`	`ENG`	`@0 Anisotropy @5 30`
C03	`30`	`X`	`SPA`	`@0 Anisotropía @5 30`
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N21				`@1 206`
N44	`01`			`@1 OTO`
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Le document en format XML

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<seriesStmt><title level="j" type="main">PCCP. Physical chemistry chemical physics : (Print)</title>
<title level="j" type="abbreviated">PCCP, Phys. chem. chem. phys. : (Print)</title>
<idno type="ISSN">1463-9076</idno>
</seriesStmt>
</fileDesc>
<profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Ab initio calculations</term>
<term>Angular distribution</term>
<term>Anisotropy</term>
<term>Aryl</term>
<term>Branching ratio</term>
<term>Dynamics</term>
<term>Electron impact excitation</term>
<term>Electronic structure</term>
<term>Energy</term>
<term>Excited state</term>
<term>Fragment</term>
<term>Gas phase</term>
<term>Halides</term>
<term>Hydrides</term>
<term>Imaging</term>
<term>Infrared laser</term>
<term>Iodine</term>
<term>Ions</term>
<term>Molecular dissociation</term>
<term>Orbital</term>
<term>Photochemistry</term>
<term>Photodissociation</term>
<term>Photolysis</term>
<term>Potential energy surfaces</term>
<term>Review</term>
<term>Speed</term>
<term>Spin</term>
<term>Vibrational states</term>
<term>Wavelength</term>
<term>pH</term>
</keywords>
<keywords scheme="Pascal" xml:lang="fr"><term>Etat excité</term>
<term>Aryle</term>
<term>Halogénure</term>
<term>Photochimie</term>
<term>Photodissociation</term>
<term>Dynamique</term>
<term>Article synthèse</term>
<term>Dissociation moléculaire</term>
<term>Excitation impact électron</term>
<term>Orbitale</term>
<term>Hydrure</term>
<term>Vitesse déplacement</term>
<term>Ion</term>
<term>Formation image</term>
<term>Laser IR</term>
<term>Structure électronique</term>
<term>Calcul ab initio</term>
<term>Phase gazeuse</term>
<term>Distribution angulaire</term>
<term>Photolyse</term>
<term>Longueur onde</term>
<term>Fragment</term>
<term>pH</term>
<term>Etat vibrationnel</term>
<term>Spin</term>
<term>Rapport branchement</term>
<term>Iode</term>
<term>Surface énergie potentielle</term>
<term>Energie</term>
<term>Anisotropie</term>
<term>3380G</term>
<term>3115A</term>
</keywords>
<keywords scheme="Wicri" type="topic" xml:lang="fr"><term>Photochimie</term>
<term>Iode</term>
</keywords>
</textClass>
</profileDesc>
</teiHeader>
<front><div type="abstract" xml:lang="en">A recent review (Ashfold et al., Phys. Chem. Chem. Phys., 2010, 12, 1218) highlighted the important role of dissociative excited states formed by electron promotion to σ<sup>*</sup>
 orbitals in establishing the photochemistry of many molecular hydrides. Here we extend such considerations to molecular halides, with a particular focus on iodobenzene. Two experimental techniques (velocity mapped ion imaging (VMI) and time resolved infrared (IR) diode laser absorption) and electronic structure calculations have been employed in a comprehensive study of the near ultraviolet (UV) photodissociation of gas phase iodobenzene molecules. The VMI studies yield the speeds and angular distributions of the I(<sup>2</sup>
P<sub>3/2</sub>
) and I<sup>*</sup>
(<sup>2</sup>
P<sub>1/2</sub>
) photofragments formed by photolysis in the wavelength range 330 ≥ λ ≥ 206 nm. Four distinct dissociation channels are observed for the I(<sup>2</sup>
P<sub>3/2</sub>
) atom products, and a further three channels for the I<sup>*</sup>
(<sup>2</sup>
P<sub>1/2</sub>
) fragments. The phenyl (Ph) radical partners formed via one particular I<sup>*</sup>
 product channel following excitation at wavelengths 305 ≥ λ ≥ 250 nm are distributed over a sufficiently select sub-set of vibrational (v) states that the images allow resolution of specific I<sup>*</sup>
 + Ph(v) channels, identification of the active product mode (v<sub>10</sub>
, an in-plane ring breathing mode), and a refined determination of D<sub>0</sub>
(Ph-I) = 23 390 ± 50 cm<sup>-1</sup>
. The time-resolved IR absorption studies allow determination of the spin-orbit branching ratio in the iodine atom products formed at λ = 248 nm (φ<sub>I* </sub>
= [I<sup>*</sup>
]/([I] + [I<sup>*</sup>
]) = 0.28 ± 0.04) and at 266 nm (φ<sub>I*</sub>
 = 0.32 ± 0.05). The complementary high-level, spin-orbit resolved ab initio calculations of sections (along the C-I bond coordinate) through the ground and first 19 excited state potential energy surfaces (PESs) reveal numerous excited states in the energy range of current interest. Except at the very shortest wavelength, however, all of the observed I and I<sup>*</sup>
 products display limiting or near limiting parallel recoil anisotropy. This encourages discussion of the fragmentation dynamics in terms of excitation to states of A<sub>1</sub>
 total symmetry and dissociation on the 2A, and 4A, (σ<sup>*</sup>
 ← n/π) PESs to yield, respectively, I and I<sup>*</sup>
 products, or via non-adiabatic coupling to other σ<sup>*</sup>
 ← n/π PESs that correlate to these respective limits. Similarities (and differences) with the available UV photochemical data for the other aryl halides, and with the simpler (and more thoroughly studied) iodides HI and CH<sub>3</sub>
I, are summarised.</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>13</s2>
</fA05>
<fA06><s2>18</s2>
</fA06>
<fA08 i1="01" i2="1" l="ENG"><s1>nσ* and πσ* excited states in aryl halide photochemistry: a comprehensive study of the UV photodissociation dynamics ofiodobenzene</s1>
</fA08>
<fA09 i1="01" i2="1" l="ENG"><s1>Molecular Collision Dynamics</s1>
</fA09>
<fA11 i1="01" i2="1"><s1>SAGE (Alan G.)</s1>
</fA11>
<fA11 i1="02" i2="1"><s1>OLIVER (Thomas A. A.)</s1>
</fA11>
<fA11 i1="03" i2="1"><s1>MURDOCK (Daniel)</s1>
</fA11>
<fA11 i1="04" i2="1"><s1>CROW (Martin B.)</s1>
</fA11>
<fA11 i1="05" i2="1"><s1>RITCHIE (Grant A. D.)</s1>
</fA11>
<fA11 i1="06" i2="1"><s1>HARVEY (Jeremy N.)</s1>
</fA11>
<fA11 i1="07" i2="1"><s1>ASHFOLD (Michael N. R.)</s1>
</fA11>
<fA12 i1="01" i2="1"><s1>CASAVECCHIA (Piergiorgio)</s1>
<s9>ed.</s9>
</fA12>
<fA12 i1="02" i2="1"><s1>BROUARD (Mark)</s1>
<s9>ed.</s9>
</fA12>
<fA12 i1="03" i2="1"><s1>COSTES (Michel)</s1>
<s9>ed.</s9>
</fA12>
<fA12 i1="04" i2="1"><s1>NESBITT (David)</s1>
<s9>ed.</s9>
</fA12>
<fA12 i1="05" i2="1"><s1>BIESKE (Evan)</s1>
<s9>ed.</s9>
</fA12>
<fA12 i1="06" i2="1"><s1>KABLE (Scott)</s1>
<s9>ed.</s9>
</fA12>
<fA14 i1="01"><s1>School of Chemistry, University of Bristol</s1>
<s2>Bristol BS8 1TS</s2>
<s3>GBR</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
<sZ>3 aut.</sZ>
<sZ>6 aut.</sZ>
<sZ>7 aut.</sZ>
</fA14>
<fA15 i1="01"><s1>Università degli Studi di Perugia, Dipartimento di Chimica, via Elce dio Sotto, 8</s1>
<s2>06123 Perugia</s2>
<s3>ITA</s3>
<sZ>1 aut.</sZ>
</fA15>
<fA15 i1="02"><s1>Oxford University, Department of Chemistry, The Physical and Theoretical Chemistry Laboratory, South Parks Road</s1>
<s2>Oxford, OX1 3QZ</s2>
<s3>GBR</s3>
<sZ>2 aut.</sZ>
</fA15>
<fA15 i1="03"><s1>Université Bordeaux 1/CNRS UMR 5255, Institut des Sciences Moléculaires</s1>
<s2>33405 Talence</s2>
<s3>FRA</s3>
<sZ>3 aut.</sZ>
</fA15>
<fA15 i1="04"><s1>JILA/NIST, Department of Chemistry and Biochemistry, University of Colorado,</s1>
<s2>Boulder, CO, 80309</s2>
<s3>USA</s3>
<sZ>4 aut.</sZ>
</fA15>
<fA15 i1="05"><s1>University of Melbourne, School of Chemistry</s1>
<s3>AUS</s3>
<sZ>5 aut.</sZ>
</fA15>
<fA15 i1="06"><s1>University of Sydney, School of Chemistry</s1>
<s3>AUS</s3>
<sZ>6 aut.</sZ>
</fA15>
<fA20><s1>8075-8093</s1>
</fA20>
<fA21><s1>2011</s1>
</fA21>
<fA23 i1="01"><s0>ENG</s0>
</fA23>
<fA43 i1="01"><s1>INIST</s1>
<s2>26801</s2>
<s5>354000191573960010</s5>
</fA43>
<fA44><s0>0000</s0>
<s1>© 2011 INIST-CNRS. All rights reserved.</s1>
</fA44>
<fA45><s0>85 ref.</s0>
</fA45>
<fA47 i1="01" i2="1"><s0>11-0307599</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>A recent review (Ashfold et al., Phys. Chem. Chem. Phys., 2010, 12, 1218) highlighted the important role of dissociative excited states formed by electron promotion to σ<sup>*</sup>
 orbitals in establishing the photochemistry of many molecular hydrides. Here we extend such considerations to molecular halides, with a particular focus on iodobenzene. Two experimental techniques (velocity mapped ion imaging (VMI) and time resolved infrared (IR) diode laser absorption) and electronic structure calculations have been employed in a comprehensive study of the near ultraviolet (UV) photodissociation of gas phase iodobenzene molecules. The VMI studies yield the speeds and angular distributions of the I(<sup>2</sup>
P<sub>3/2</sub>
) and I<sup>*</sup>
(<sup>2</sup>
P<sub>1/2</sub>
) photofragments formed by photolysis in the wavelength range 330 ≥ λ ≥ 206 nm. Four distinct dissociation channels are observed for the I(<sup>2</sup>
P<sub>3/2</sub>
) atom products, and a further three channels for the I<sup>*</sup>
(<sup>2</sup>
P<sub>1/2</sub>
) fragments. The phenyl (Ph) radical partners formed via one particular I<sup>*</sup>
 product channel following excitation at wavelengths 305 ≥ λ ≥ 250 nm are distributed over a sufficiently select sub-set of vibrational (v) states that the images allow resolution of specific I<sup>*</sup>
 + Ph(v) channels, identification of the active product mode (v<sub>10</sub>
, an in-plane ring breathing mode), and a refined determination of D<sub>0</sub>
(Ph-I) = 23 390 ± 50 cm<sup>-1</sup>
. The time-resolved IR absorption studies allow determination of the spin-orbit branching ratio in the iodine atom products formed at λ = 248 nm (φ<sub>I* </sub>
= [I<sup>*</sup>
]/([I] + [I<sup>*</sup>
]) = 0.28 ± 0.04) and at 266 nm (φ<sub>I*</sub>
 = 0.32 ± 0.05). The complementary high-level, spin-orbit resolved ab initio calculations of sections (along the C-I bond coordinate) through the ground and first 19 excited state potential energy surfaces (PESs) reveal numerous excited states in the energy range of current interest. Except at the very shortest wavelength, however, all of the observed I and I<sup>*</sup>
 products display limiting or near limiting parallel recoil anisotropy. This encourages discussion of the fragmentation dynamics in terms of excitation to states of A<sub>1</sub>
 total symmetry and dissociation on the 2A, and 4A, (σ<sup>*</sup>
 ← n/π) PESs to yield, respectively, I and I<sup>*</sup>
 products, or via non-adiabatic coupling to other σ<sup>*</sup>
 ← n/π PESs that correlate to these respective limits. Similarities (and differences) with the available UV photochemical data for the other aryl halides, and with the simpler (and more thoroughly studied) iodides HI and CH<sub>3</sub>
I, are summarised.</s0>
</fC01>
<fC02 i1="01" i2="X"><s0>001C01F01</s0>
</fC02>
<fC03 i1="01" i2="X" l="FRE"><s0>Etat excité</s0>
<s5>01</s5>
</fC03>
<fC03 i1="01" i2="X" l="ENG"><s0>Excited state</s0>
<s5>01</s5>
</fC03>
<fC03 i1="01" i2="X" l="SPA"><s0>Estado excitado</s0>
<s5>01</s5>
</fC03>
<fC03 i1="02" i2="X" l="FRE"><s0>Aryle</s0>
<s5>02</s5>
</fC03>
<fC03 i1="02" i2="X" l="ENG"><s0>Aryl</s0>
<s5>02</s5>
</fC03>
<fC03 i1="02" i2="X" l="SPA"><s0>Arilo</s0>
<s5>02</s5>
</fC03>
<fC03 i1="03" i2="X" l="FRE"><s0>Halogénure</s0>
<s2>NA</s2>
<s5>03</s5>
</fC03>
<fC03 i1="03" i2="X" l="ENG"><s0>Halides</s0>
<s2>NA</s2>
<s5>03</s5>
</fC03>
<fC03 i1="03" i2="X" l="SPA"><s0>Haluro</s0>
<s2>NA</s2>
<s5>03</s5>
</fC03>
<fC03 i1="04" i2="X" l="FRE"><s0>Photochimie</s0>
<s5>04</s5>
</fC03>
<fC03 i1="04" i2="X" l="ENG"><s0>Photochemistry</s0>
<s5>04</s5>
</fC03>
<fC03 i1="04" i2="X" l="SPA"><s0>Fotoquímica</s0>
<s5>04</s5>
</fC03>
<fC03 i1="05" i2="X" l="FRE"><s0>Photodissociation</s0>
<s5>05</s5>
</fC03>
<fC03 i1="05" i2="X" l="ENG"><s0>Photodissociation</s0>
<s5>05</s5>
</fC03>
<fC03 i1="05" i2="X" l="SPA"><s0>Fotodisociación</s0>
<s5>05</s5>
</fC03>
<fC03 i1="06" i2="X" l="FRE"><s0>Dynamique</s0>
<s5>06</s5>
</fC03>
<fC03 i1="06" i2="X" l="ENG"><s0>Dynamics</s0>
<s5>06</s5>
</fC03>
<fC03 i1="06" i2="X" l="SPA"><s0>Dinámica</s0>
<s5>06</s5>
</fC03>
<fC03 i1="07" i2="X" l="FRE"><s0>Article synthèse</s0>
<s5>07</s5>
</fC03>
<fC03 i1="07" i2="X" l="ENG"><s0>Review</s0>
<s5>07</s5>
</fC03>
<fC03 i1="07" i2="X" l="SPA"><s0>Artículo síntesis</s0>
<s5>07</s5>
</fC03>
<fC03 i1="08" i2="X" l="FRE"><s0>Dissociation moléculaire</s0>
<s5>08</s5>
</fC03>
<fC03 i1="08" i2="X" l="ENG"><s0>Molecular dissociation</s0>
<s5>08</s5>
</fC03>
<fC03 i1="08" i2="X" l="SPA"><s0>Disociación molecular</s0>
<s5>08</s5>
</fC03>
<fC03 i1="09" i2="3" l="FRE"><s0>Excitation impact électron</s0>
<s5>09</s5>
</fC03>
<fC03 i1="09" i2="3" l="ENG"><s0>Electron impact excitation</s0>
<s5>09</s5>
</fC03>
<fC03 i1="10" i2="X" l="FRE"><s0>Orbitale</s0>
<s5>10</s5>
</fC03>
<fC03 i1="10" i2="X" l="ENG"><s0>Orbital</s0>
<s5>10</s5>
</fC03>
<fC03 i1="10" i2="X" l="SPA"><s0>Orbital</s0>
<s5>10</s5>
</fC03>
<fC03 i1="11" i2="X" l="FRE"><s0>Hydrure</s0>
<s2>NA</s2>
<s5>11</s5>
</fC03>
<fC03 i1="11" i2="X" l="ENG"><s0>Hydrides</s0>
<s2>NA</s2>
<s5>11</s5>
</fC03>
<fC03 i1="11" i2="X" l="SPA"><s0>Hidruro</s0>
<s2>NA</s2>
<s5>11</s5>
</fC03>
<fC03 i1="12" i2="X" l="FRE"><s0>Vitesse déplacement</s0>
<s5>12</s5>
</fC03>
<fC03 i1="12" i2="X" l="ENG"><s0>Speed</s0>
<s5>12</s5>
</fC03>
<fC03 i1="12" i2="X" l="SPA"><s0>Velocidad desplazamiento</s0>
<s5>12</s5>
</fC03>
<fC03 i1="13" i2="X" l="FRE"><s0>Ion</s0>
<s2>NA</s2>
<s5>13</s5>
</fC03>
<fC03 i1="13" i2="X" l="ENG"><s0>Ions</s0>
<s2>NA</s2>
<s5>13</s5>
</fC03>
<fC03 i1="13" i2="X" l="SPA"><s0>Ión</s0>
<s2>NA</s2>
<s5>13</s5>
</fC03>
<fC03 i1="14" i2="X" l="FRE"><s0>Formation image</s0>
<s5>14</s5>
</fC03>
<fC03 i1="14" i2="X" l="ENG"><s0>Imaging</s0>
<s5>14</s5>
</fC03>
<fC03 i1="14" i2="X" l="SPA"><s0>Formación imagen</s0>
<s5>14</s5>
</fC03>
<fC03 i1="15" i2="X" l="FRE"><s0>Laser IR</s0>
<s5>15</s5>
</fC03>
<fC03 i1="15" i2="X" l="ENG"><s0>Infrared laser</s0>
<s5>15</s5>
</fC03>
<fC03 i1="15" i2="X" l="SPA"><s0>Laser IR</s0>
<s5>15</s5>
</fC03>
<fC03 i1="16" i2="X" l="FRE"><s0>Structure électronique</s0>
<s5>16</s5>
</fC03>
<fC03 i1="16" i2="X" l="ENG"><s0>Electronic structure</s0>
<s5>16</s5>
</fC03>
<fC03 i1="16" i2="X" l="SPA"><s0>Estructura electrónica</s0>
<s5>16</s5>
</fC03>
<fC03 i1="17" i2="3" l="FRE"><s0>Calcul ab initio</s0>
<s5>17</s5>
</fC03>
<fC03 i1="17" i2="3" l="ENG"><s0>Ab initio calculations</s0>
<s5>17</s5>
</fC03>
<fC03 i1="18" i2="X" l="FRE"><s0>Phase gazeuse</s0>
<s5>18</s5>
</fC03>
<fC03 i1="18" i2="X" l="ENG"><s0>Gas phase</s0>
<s5>18</s5>
</fC03>
<fC03 i1="18" i2="X" l="SPA"><s0>Fase gaseosa</s0>
<s5>18</s5>
</fC03>
<fC03 i1="19" i2="X" l="FRE"><s0>Distribution angulaire</s0>
<s5>19</s5>
</fC03>
<fC03 i1="19" i2="X" l="ENG"><s0>Angular distribution</s0>
<s5>19</s5>
</fC03>
<fC03 i1="19" i2="X" l="SPA"><s0>Distribución angular</s0>
<s5>19</s5>
</fC03>
<fC03 i1="20" i2="X" l="FRE"><s0>Photolyse</s0>
<s5>20</s5>
</fC03>
<fC03 i1="20" i2="X" l="ENG"><s0>Photolysis</s0>
<s5>20</s5>
</fC03>
<fC03 i1="20" i2="X" l="SPA"><s0>Fotolisis</s0>
<s5>20</s5>
</fC03>
<fC03 i1="21" i2="X" l="FRE"><s0>Longueur onde</s0>
<s5>21</s5>
</fC03>
<fC03 i1="21" i2="X" l="ENG"><s0>Wavelength</s0>
<s5>21</s5>
</fC03>
<fC03 i1="21" i2="X" l="SPA"><s0>Longitud onda</s0>
<s5>21</s5>
</fC03>
<fC03 i1="22" i2="X" l="FRE"><s0>Fragment</s0>
<s5>22</s5>
</fC03>
<fC03 i1="22" i2="X" l="ENG"><s0>Fragment</s0>
<s5>22</s5>
</fC03>
<fC03 i1="22" i2="X" l="SPA"><s0>Fragmento</s0>
<s5>22</s5>
</fC03>
<fC03 i1="23" i2="X" l="FRE"><s0>pH</s0>
<s5>23</s5>
</fC03>
<fC03 i1="23" i2="X" l="ENG"><s0>pH</s0>
<s5>23</s5>
</fC03>
<fC03 i1="23" i2="X" l="SPA"><s0>pH</s0>
<s5>23</s5>
</fC03>
<fC03 i1="24" i2="3" l="FRE"><s0>Etat vibrationnel</s0>
<s5>24</s5>
</fC03>
<fC03 i1="24" i2="3" l="ENG"><s0>Vibrational states</s0>
<s5>24</s5>
</fC03>
<fC03 i1="25" i2="X" l="FRE"><s0>Spin</s0>
<s5>25</s5>
</fC03>
<fC03 i1="25" i2="X" l="ENG"><s0>Spin</s0>
<s5>25</s5>
</fC03>
<fC03 i1="25" i2="X" l="SPA"><s0>Spin</s0>
<s5>25</s5>
</fC03>
<fC03 i1="26" i2="X" l="FRE"><s0>Rapport branchement</s0>
<s5>26</s5>
</fC03>
<fC03 i1="26" i2="X" l="ENG"><s0>Branching ratio</s0>
<s5>26</s5>
</fC03>
<fC03 i1="26" i2="X" l="SPA"><s0>Relación ramificación</s0>
<s5>26</s5>
</fC03>
<fC03 i1="27" i2="X" l="FRE"><s0>Iode</s0>
<s2>NC</s2>
<s5>27</s5>
</fC03>
<fC03 i1="27" i2="X" l="ENG"><s0>Iodine</s0>
<s2>NC</s2>
<s5>27</s5>
</fC03>
<fC03 i1="27" i2="X" l="SPA"><s0>Iodo</s0>
<s2>NC</s2>
<s5>27</s5>
</fC03>
<fC03 i1="28" i2="3" l="FRE"><s0>Surface énergie potentielle</s0>
<s5>28</s5>
</fC03>
<fC03 i1="28" i2="3" l="ENG"><s0>Potential energy surfaces</s0>
<s5>28</s5>
</fC03>
<fC03 i1="29" i2="X" l="FRE"><s0>Energie</s0>
<s5>29</s5>
</fC03>
<fC03 i1="29" i2="X" l="ENG"><s0>Energy</s0>
<s5>29</s5>
</fC03>
<fC03 i1="29" i2="X" l="SPA"><s0>Energía</s0>
<s5>29</s5>
</fC03>
<fC03 i1="30" i2="X" l="FRE"><s0>Anisotropie</s0>
<s5>30</s5>
</fC03>
<fC03 i1="30" i2="X" l="ENG"><s0>Anisotropy</s0>
<s5>30</s5>
</fC03>
<fC03 i1="30" i2="X" l="SPA"><s0>Anisotropía</s0>
<s5>30</s5>
</fC03>
<fC03 i1="31" i2="X" l="FRE"><s0>3380G</s0>
<s4>INC</s4>
<s5>32</s5>
</fC03>
<fC03 i1="32" i2="X" l="FRE"><s0>3115A</s0>
<s4>INC</s4>
<s5>33</s5>
</fC03>
<fN21><s1>206</s1>
</fN21>
<fN44 i1="01"><s1>OTO</s1>
</fN44>
<fN82><s1>OTO</s1>
</fN82>
</pA>
</standard>
</inist>
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nσ* and πσ* excited states in aryl halide photochemistry: a comprehensive study of the UV photodissociation dynamics ofiodobenzene

nσ* and πσ* excited states in aryl halide photochemistry: a comprehensive study of the UV photodissociation dynamics ofiodobenzene

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