Fourier Transform Microwave and Millimeter-Wave Spectroscopy of Bromoiodomethane, CH<sub>2</sub>BrI

Bailleux, S.; Duflot, Denis; Taniguchi, Kotomi; Sakai, S.; Ozeki, Hiroyuki; Ohteki, Toshiaki; Bailey, William C.

doi:10.1021/jp510119e

Cited by 5 publications

(8 citation statements)

References 45 publications

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“…These features match their expected electrostatic kinetic energies of 1.76 eV and 2.41 eV when the two charges are separated by the equilibrium I-Br distance of CH 2 BrI, 345 pm [47][48][49], and exhibit a decrease in ion yield at positive delays that corresponds to the depletion of CH 2 BrI by the UV pulse. By contrast, if the charges were located on iodine and carbon, the I + and CH 2 Br + kinetic energies would be 2.82 eV and 3.85 eV, respectively, supporting the view that the CH 2 Br + charge is located on bromine [47][48][49].…”

Section: Resultssupporting

confidence: 59%

“…Figure 3 presents the kinetic energy distributions of I + and CH 2 Br + after pBasex Abel inversion of the respective ion images at each delay step [46]. Normalized data from 1.85 ps, the delay step with the most statistics respectively, supporting the view that the CH 2 Br + charge is located on bromine [47][48][49].…”

Section: Resultsmentioning

confidence: 61%

“…The IR background and the negative delay regions, where the IR light arrives first, both indicate that the I + and CH 2 Br + channels centered at 1.73 ± 0.17 eV and 2.31 ± 0.21 eV are caused by the double ionization and Coulomb explosion of CH 2 BrI. These features match their expected electrostatic kinetic energies of 1.76 eV and 2.41 eV when the two charges are separated by the equilibrium I-Br distance of CH 2 BrI, 345 pm [47][48][49], and exhibit a decrease in ion yield at positive delays that corresponds to the depletion of CH 2 BrI by the UV pulse. By contrast, if the charges were located on iodine and carbon, the I + and CH 2 Br + kinetic energies would be 2.82 eV and 3.85 eV, respectively, supporting the view that the CH 2 Br + charge is located on bromine [47][48][49].…”

Section: Resultsmentioning

confidence: 74%

“…The expected three-body kinetic energy release of I + , Br + , and CH 2 + is 18.2 eV when using equilibrium internuclear distances of 345 pm, 195 pm, and 216 pm for I-Br, C-Br, and C-I, respectively [47][48][49]. Summing the highest kinetic energy channels of Br + and CH 2 + (5.4 ± 0.8 eV and 8.9 ± 0.9 eV) with the diffuse I + feature centered at 3.3 eV results in 17.6 eV.…”

Section: Resultsmentioning

confidence: 99%

See 3 more Smart Citations

Coulomb-explosion imaging of concurrent CH2BrI photodissociation dynamics

Burt¹,

Boll²,

Lee³

et al. 2017

Phys. Rev. A

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The dynamics following laser-induced molecular photodissociation of gas-phase CH 2 BrI at 271.6 nm were investigated by time-resolved Coulomb explosion imaging using intense near-IR femtosecond laser pulses. The observed delay-dependent photofragment momenta reveal that CH 2 BrI undergoes C-I cleavage, depositing 65.6% of the available energy into internal product states, and that absorption of a second UV photon breaks the C-Br bond of CH 2 Br. Simulations confirm that this mechanism is consistent with previous data recorded at 248 nm, demonstrating the sensitivity of Coulomb explosion imaging as a real-time probe of chemical dynamics.2

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Section: Resultssupporting

confidence: 59%

Section: Resultsmentioning

confidence: 61%

Section: Resultsmentioning

confidence: 74%

Section: Resultsmentioning

confidence: 99%

See 2 more Smart Citations

Coulomb-explosion imaging of concurrent CH2BrI photodissociation dynamics

Burt¹,

Boll²,

Lee³

et al. 2017

Phys. Rev. A

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“…The I and I* images in Figure 7 appear to be anisotropic, indicating that the dissociation process at all wavelengths occurs on a faster timescale than the rotational period ( τ ≤ 10 ps) of CH 2 BrI, determined from microwave spectroscopy rotational constants. 17 Table 2 for I photofragments, the G1 components have an average β = 1.65, 1.56, and 1.48 at 279.71, 298.23, and 308.15 nm wavelengths, respectively. Taken together, the G1 components on average have an observed β ~ 1.56, while the G2 components generally have β ~ 0.94 using the same procedure.…”

Section: Resultsmentioning

confidence: 99%

Imaging the Dynamics of CH₂BrI Photodissociation in the Near Ultraviolet Region

et al. 2018

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The photodissociation dynamics of jet-cooled CHBrI were investigated in the near-ultraviolet (UV) region from 280-310 nm using velocity map imaging. We report the translational and internal energy distributions of the CHBr radical and ground state I ( P) or spin-orbit excited I ( P) fragments determined by velocity map imaging of the ionized iodine fragments following 2 + 1 resonance-enhanced multiphoton ionization of the nascent neutral iodine products. The velocity distributions indicate that most of the available energy is partitioned into the internal energy of the CHBr radical with only modest translational excitation imparted to the cofragments, which is consistent with a simple impulsive model. Furthermore, from extrapolation of the velocity distribution results, the first determination of the C-I bond dissociation energy of CHBrI is presented in this work to be D = 16 790 ± 590 cm. The ion images appear anisotropic, indicative of a prompt dissociation, and the derived anisotropy parameters are consistently positive. Additionally, the angular distributions report on the electronic excited state dynamics, which validate recent works characterizing the electronic states responsible for the first absorption band of CHBrI. In the current work, photolysis of CHBrI on the red edge of the absorption spectrum reveals an additional channel producing I ( P) fragments.

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