Spectroscopic characterization of C7H3+ and C7H3˙: electronic absorption and fluorescence in 6 K neon matrices

Chakraborty, Arghya; Fulara, Jan; Dietsche, Rainer; Maier, John P.

doi:10.1039/c4cp00043a

Cited by 12 publications

(10 citation statements)

References 36 publications

(48 reference statements)

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“…It was recently shown for C 7 H 3 that this is a feasible process. 41 Therefore, the 303 nm system is concluded to be caused by the aforementioned transition of the cumulene carbene H 2 C 5 . Considering the calculated oscillator strengths and observed absorption intensities, A and B had about the same abundances in the matrix.…”

Section: Matrix Spectrum Of H 2 Cccccmentioning

confidence: 99%

Electronic spectra of linear HC5H and cumulene carbene H2C5

Steglich

Fulara

Maity

et al. 2015

The Journal of Chemical Physics

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The 1 3 Σ − u ← X 3 Σ − g transition of linear HC 5 H (A) has been observed in a neon matrix and gas phase. The assignment is based on mass-selective experiments, extrapolation of previous results of the longer HC 2n+1 H homologues, and density functional and multi-state CASPT2 theoretical methods. Another band system starting at 303 nm in neon is assigned as the 1 1 A 1 ←  X 1 A 1 transition of the cumulene carbene pentatetraenylidene H 2 C 5 (B). C 2015 AIP Publishing LLC. [http://dx

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Section: Matrix Spectrum Of H 2 Cccccmentioning

confidence: 99%

Electronic spectra of linear HC5H and cumulene carbene H2C5

Steglich

Fulara

Maity

et al. 2015

The Journal of Chemical Physics

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“…The technique used combines mass spectrometry and matrix isolation 16. Anions and cations of C 7 H 5 were produced in a hot cathode discharge source from organic vapors.…”

Section: Computational and Experimental Sectionmentioning

confidence: 99%

FEND Conference 2013

Mulnier

2013

European Diabetes Nursing

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The fulvenallenyl radical was produced in 6 K neon matrices after mass‐selective deposition of C7H5− and C7H5+ generated from organic precursors in a hot cathode ion source. Absorption bands commencing at λ=401.3 nm were detected as a result of photodetachment of electrons from the deposited C7H5− and also by neutralization of C7H5+ in the matrix. The absorption system is assigned to the 1 2B1←X 2B1 transition of the fulvenallenyl radical on the basis of electronic excitation energies calculated with the MS‐CASPT2 method. The vibrational excitation bands detected in the spectrum concur with the structure of the fulvenallenyl radical. Employing DFT calculations, it is found that the fulvenallenyl anion and its radical are the global minima on the potential energy surface among plausible structures of C7H5.

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“…Due to the latter advantage MI spectra can be straightforwardly correlated both with spectra obtained by quantum chemical computations and by astrophysical observations. Therefore, it is not surprising that MI spectroscopy has been extensively applied to generate and characterize reactive molecules with astrochemical interest. − …”

Section: Introductionmentioning

confidence: 99%

Photochemical Formation of Diazenecarbaldehyde (HNNCHO) and Diazenecarbothialdehyde (HNNCHS) in Low-Temperature Matrices

et al. 2018

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The photochemical decomposition of 1,2,4-oxadiazole-3,5-diamine and 1,2,4-thiadiazole-3,5-diamine was investigated in low-temperature Ar and Kr matrixes at different wavelengths. The analysis of matrix-isolation infrared (MI-IR) spectra aided by high-level quantum chemical computations showed not only that these photochemical reactions yield [NH, C, N, X] (X = O, S) isomers but also that the bands of a novel, formerly unobserved species were observed. The comparison of computed IR spectra of potential products with the observed spectra suggests that these species are the diazenecarbaldehyde (HNNCHO) and diazenecarbothialdehyde (HNNCHS). Neither of the reactive HNNCHO and HNNCHS molecules was observed experimentally before. Both molecules are identified in the matrix as a complex with the other photoproduct, NHCN. Comparison of the present experiments with former photochemical experiments on 1,2,5-oxadiazole-3,4-diamine and 1,2,5-thiadiazole-3,4-diamine and the analysis of the rate of formation of the different photoproducts indicate that HNNCHO and HNNCHS are formed in a different reaction path than HNNCX and HNC(NX) (X = O, S), and not by photoisomerization from these latter products.

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Spectroscopic characterization of C₇H₃⁺ and C₇H₃˙: electronic absorption and fluorescence in 6 K neon matrices

Cited by 12 publications

References 36 publications

Electronic spectra of linear HC5H and cumulene carbene H2C5

Electronic spectra of linear HC5H and cumulene carbene H2C5

FEND Conference 2013

Photochemical Formation of Diazenecarbaldehyde (HNNCHO) and Diazenecarbothialdehyde (HNNCHS) in Low-Temperature Matrices

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