Fluorescence excitation spectroscopy of the system of jet-cooled HCCl in the region 5150–6050Å

Fan, Haiyan; Ionescu, Ionela; Annesley, Chris; Cummins, Joseph T.; Bowers, Matthew T.; Reid, Scott A.

doi:10.1016/j.jms.2004.02.013

Cited by 16 publications

(10 citation statements)

References 22 publications

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“…Calculated vibrational energies in, and spectral intensities in transitions to, the Ã state also match fairly well with the experimental results reported by Fan et al 23 who measured some higher energy bending and bend-͑C-Cl͒ stretch combination levels out to ͑080͒°. In particular, the measured ͑060͒, ͑051͒, ͑042͒, and ͑033͒ multiplets shown in Fig.…”

Section: Discussionsupporting

confidence: 88%

“…The results match the experimental observations well. For example, relative intensities and spacing of the ͑050/ ͑041͒ levels observed by Kakimoto et al 20 and Fan et al 23 are well reproduced, indicating that the potential energy surfaces are sufficiently accurate to reliably predict features of the band system out into the visible region. Calculated effective rotational constants for many vibrational levels are also listed in the supplementary data.…”

Section: Potential-energy Surfacesmentioning

confidence: 69%

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Hot bands in jet-cooled and ambient temperature spectra of chloromethylene

Wang

Bird

et al. 2006

The Journal of Chemical Physics

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Rotationally resolved spectra of several bands lying to the red of the origin of the A(1)A" - X (1)A' band system of chloromethylene (HCCl), were recorded by laser absorption spectroscopy in ambient temperature and jet-cooled samples. The radical was made by excimer laser photolysis of dibromochloromethane, diluted in inert gas, at 193 nm. The jet-cooled sample showed efficient rotational but less vibrational cooling. Analysis showed that the observed bands originate in the (upsilon(1),upsilon(2),upsilon(3)) = (010), (001), and (011) vibrational levels of the ground electronic state of the radical, while the upper-state levels involved were (000), (010), (001), and (011). Vibrational energies and rotational constants describing the rotational levels in the lower-state vibrational levels were determined by fitting to combination differences. The analysis also resulted in a reevaluation of the C-Cl stretching frequency in the excited state and we find E(001)' = 13 206.57 or 926.17 cm(-1) above the A(1)A" (000) rotationless level for HC(35)Cl. Scaled ab initio potential energy surfaces for the A and X states were used to compute the transition moment surface and thereby the relative intensities of different vibronic transitions, providing additional support for the assignments and permitting the prediction of the shorter wavelength spectrum. All the observed upper state levels showed some degree of perturbation in their rotational energy levels, particularly in K(a) = 1, presumably due to coupling with near-resonant vibrationally excited levels of the ground electronic state. Transitions originating in the low-lying a(3)A" were also predicted to occur in the same wavelength region, but could not be identified in the spectra.

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Section: Discussionsupporting

confidence: 88%

Section: Potential-energy Surfacesmentioning

confidence: 69%

Hot bands in jet-cooled and ambient temperature spectra of chloromethylene

Wang

Bird

et al. 2006

The Journal of Chemical Physics

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“…In CHCl, combination bands involving the CH stretch and CCl stretch were only observed in excitation at higher energy [9,42,45,53], however, in CDCl we observe more extensive activity in the 2 n 0 3 1 0 and 1 1 0 2 n 0 progressions. We thus obtained and rotationally analyzed fluorescence excitation spectra of 29 cold bands involving the pure bending levels 2 n 0 with n = 2-11, C-D stretching fundamental (1 1 0 ), and combination bands 2 n 0 3 1 0 (n = 2-10), 2 n 0 3 2 0 (n = 9), 1 1 0 2 n 0 (n = 2-8), and 1 1 0 2 n 0 3 1 0 (n = 7) in theÃ 1 A 00 X 1 A 0 system; Fig.…”

Section: Fluorescence Excitation Spectramentioning

confidence: 47%

“…The apparatus, pulsed discharge nozzle, and data acquisition procedures are identical to those used in previous studies of CHF, CDF, CHBr, CDBr, and CHCl [8,[44][45][46][47][48][49][50][51][52][53][54], and, therefore, only the important differences will be highlighted. The carbene CDCl was produced using a pulsed electrical discharge through a $1-2% mixture of CD 2 Cl 2 (Cambridge Isotope Labs, 99.9 atom % of D) seeded in high purity He.…”

Section: Methodsmentioning

confidence: 99%

“…Building upon the seminal work of Merer and Travis in the 1960's [9,10], and later work from the groups of Hirota [11][12][13][14][15][16][17][18], Sears [19][20][21][22][23][24][25][26][27][28][29][30][31][32][33], Kable [34][35][36], and Chang [37][38][39][40][41][42][43], our group has recently undertaken a systematic study of the monohalocarbenes CHF, CHCl, CHBr and their deuterated isotopomers, using a variety of methods including fluorescence excitation spectroscopy, lifetime measurements, polarization and Zeeman quantum beat spectroscopy, and single vibronic level emission spectroscopy [8,[44][45][46][47][48][49][50][51][52][53][54]. Most recently, we reported comprehensive surveys ...…”

Section: Introductionmentioning

confidence: 99%

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