Electronic excitation and oscillator strength of ethyl iodide by VUV photoabsorption and electron energy loss spectroscopy

Giuliani, Alexandre; Motte‐Tollet, F.; Delwiche, J.; Heinesch, J.; Mason, Nigel J.; Gingell, JM; Walker, Isobel C.; Jones, Nykola C.; Hubin‐Franskin, M.‐J.

doi:10.1063/1.478964

Cited by 9 publications

(6 citation statements)

References 37 publications

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“…The n = 4 quantum defects calculated using 13.08 eV as the ionisation limit [21] are 2.00 for the major peak and 1.64 for the higher energy feature. The expected quantum defects for promotion from an MO centred on a chlorine atom are $2 and $1.7, for ns and np series, respectively [40,41]. Hence our calculated quantum defects are consistent with the predicted values.…”

Section: Rydberg Excitation Of Cf 3 CL and The Absolute Photoabsorptisupporting

confidence: 87%

“…Accordingly, the peaks which are considered to belong to ns ( 2 E 3/2 ) and ns ( 2 E 1/2 ) series are listed in Table 9. The quantum defect range for an ns series associated with the vacation of an orbital centred on an iodine atom is 3.9-4.2 [40,41]. Rydberg assignments above n = 7 are proposed for the first time in the present work.…”

Section: Rydberg Excitation Of Cf 3 Imentioning

confidence: 96%

“…As discussed in Section 1, we would expect the C-Br r orbital to be localised close to the bromine atom. Therefore, the quantum defects should be higher than those for chlorine [40,41]. The peak energies and quantum defects are listed in Table 4.…”

Section: Rydberg Excitation Of Cf 3 Brmentioning

confidence: 99%

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VUV photoabsorption in CF3X (X=Cl, Br, I) fluoro-alkanes

et al. 2006

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Section: Rydberg Excitation Of Cf 3 CL and The Absolute Photoabsorptisupporting

confidence: 87%

Section: Rydberg Excitation Of Cf 3 Imentioning

confidence: 96%

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VUV photoabsorption in CF3X (X=Cl, Br, I) fluoro-alkanes

et al. 2006

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“…60 This behaviour was suggested previously by Xu et al 33 , and is also consistent with the reported He I photoelectron spectrum. 53, 54 The theoretical ranges of internal energies accessible to the nascent parent ions and to the excited-state ions created through absorption of a second 266 nm or 355 nm photon are indicated on 65 Figure 2 by the shading above each energy level. The shoulder on the high mass side of the I + peak most probably corresponds to HI + (m/z 128).…”

Section: Ethyl Halide Cation Formationmentioning

confidence: 99%

Fragmentation dynamics of the ethyl bromide and ethyl iodide cations: a velocity-map imaging study

Gardiner

Karsili

Lipciuc

et al. 2014

Phys. Chem. Chem. Phys.

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The photodissociation dynamics of ethyl bromide and ethyl iodide cations (C 2 H 5 Br + and C 2 H 5 I + ) have been studied. Ethyl halide cations were formed through vacuum ultraviolet (VUV) photoionization of the respective neutral parent molecules at 118.2 nm, and were photolysed at a number of ultraviolet (UV) photolysis wavelengths, including 355 nm and wavelengths in the range from 236 to 266 nm. Time-offlight mass spectra and velocity-map images have been acquired for all fragment ions and for ground (Br) and spin-orbit excited (Br*) bromine atom products, allowing multiple fragmentation pathways to be investigated. The experimental studies are complemented by spin-orbit resolved ab initio calculations of cuts through the potential energy surfaces (along the R C-Br/I stretch coordinate) for the ground and first few excited states of the respective cations. Analysis of the velocity-map images indicates that photoexcited C 2 H 5 Br + cations undergo prompt C-Br bond fission to form predominantly C 2 H 5 + + Br* products with a near-limiting 'parallel' recoil velocity distribution. The observed C 2 H 3 + + H 2 + Br product channel is thought to arise via unimolecular decay of highly internally excited C 2 H 5 + products formed following radiationless transfer from the initial excited state populated by photon absorption. Broadly similar behaviour is observed in the case of C 2 H 5 I + , along with an additional energetically accessible C-I bond fission channel to form C 2 H 5 + I + products. HX (X = Br, I) elimination from the highly internally excited C 2 H 5 X + cation is deemed the most probable route to forming the C 2 H 4 + fragment ions observed from both cations. Finally, both ethyl halide cations also show evidence of a minor C-C bond fission process to form CH 2 X + + CH 3 products.dissociation limit involves CH 3 + + Br* products, whereas for CH 3 I + , the larger spin-orbit splitting in atomic iodine relative

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“…[3][4][5][6][7] Information on higher excited ionic states of the iodo alkanes is restricted to that from low-resolution photoelectron spectroscopy. 8,9 An investigation of the excited states of iodoalkane radical cations larger than CH 3 I +• has been reported by Goss et al 4 This study gave little indication of vibrational structure in the Photodissociation mass spectra and mass-selected resonant (1+1)-photodissociation spectroscopy of some alkyl iodide radical cations excited Ã state of the C 2 H 5 I +• and 1-C 3 H 7 I +• radical cations. 4 The authors concluded that, among iodoalkanes, CH 3 I +• is a rare exception with regard to the observation of vibrational fine structure in the Ã ¬ X transition of the radical cation.…”

mentioning

confidence: 96%

Photodissociation Mass Spectra and Mass-Selected Resonant (1+1)-Photodissociation Spectroscopy of Some Alkyl Iodide Radical Cations

Schüttig

Grotemeyer

2011

Eur J Mass Spectrom (Chichester)

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Photodissociation (PD) mass spectra and mass selected (1+1)-photodissociation spectra of C(2)H(5)I(+•), C(2)D(5)I(+•),1- C(3)H(7)I(+•), 2-C(3)H(7)I(+•), 1-C(4)H(9)I(+•) and 2- C(4)H(9)I(+•) radical cations were studied within the Ã ← X~ absorption band. The photodissociation mass spectra within the range 13,600-15,900 cm(-1) (1.68-1.97 eV) evidence only a simple cleavage of the C-I bond and formation of the corresponding alkyl ions. The resonant (1+1)-photodissociation spectra of C(2)H(5)I(+•) and C(2)D(5)I(+•) show intense vibrational structure in the excited Ã state. The thresholds for formation of the states of C(2)H(5)I(+•) and C(2)D(5)I(+•) were estimated to be (13,278 ± 12) cm(-1) (1.6462 ± 0.0014 eV)and (13,363 ± 12) cm(-1) (1.6586 ± 0.0014 eV), respectively. Whereas a few resonant vibronic excitations could be identified with 1-C(3)H(7)I(+•) and 1- C(4)H(7)I(+), no vibrational features were observable with 2- C(3)H(7)I(+•) and 2-C(4)H(9)I(+•). It is concluded that 1- and 2-iodoalkane radical cations do not rearrange, even under the conditions of electron ionisation used to generate the molecular ions.

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Electronic excitation and oscillator strength of ethyl iodide by VUV photoabsorption and electron energy loss spectroscopy

Abstract: Articles you may be interested in Electronic excitation of furfural as probed by high-resolution vacuum ultraviolet spectroscopy, electron energy loss spectroscopy, and ab initio calculations

Cited by 9 publications

References 37 publications

VUV photoabsorption in CF3X (X=Cl, Br, I) fluoro-alkanes

VUV photoabsorption in CF3X (X=Cl, Br, I) fluoro-alkanes

Fragmentation dynamics of the ethyl bromide and ethyl iodide cations: a velocity-map imaging study

Photodissociation Mass Spectra and Mass-Selected Resonant (1+1)-Photodissociation Spectroscopy of Some Alkyl Iodide Radical Cations

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