Raman and infrared spectra of crystalline cyanogen

Andrews, B.; Anderson, A.; Torrie, B. H.

doi:10.1002/jrs.1250150115

Cited by 15 publications

(8 citation statements)

References 6 publications

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“…The HREELS experiment of C 2 N 2 on the Si(100)-2 × 1 surface 10 included the results of 2.5 Langmuir deposition at both 100 and 250 K related to multilayer and submonolayer adsorptions, respectively. The multilayer result is similar to the Raman spectrum of solid C 2 N 2 with frequencies lower than that in the gas phase . In the acrylonitrile (CH 2 CH−C⋮N) deposition experiment, FTIR measurement showed a keteneimine (CCN) intermediate with the vibrational frequency in the range of 2000−2040 cm -1 …”

Section: Resultssupporting

confidence: 74%

Adsorption and Reaction of C₂N₂ on Si(100)-2 × 1: A Computational Study with Single- and Double-Dimer Cluster Models

Wang

Lin

2004

J. Phys. Chem. B

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The adsorption and decomposition of C 2 N 2 on the Si(100)-2 × 1 surface have been calculated by the hybrid density functional B3LYP method with Si 9 H 12 and Si 15 H 16 as single-and double-dimer models, respectively. The result of our single-dimer surface model calculation shows that the surface reaction started from a single N atom of C 2 N 2 molecularly adsorbed on one silicon atom of the dimer. From the result of bond distance changes and vibrational frequency analysis, this process occurs by direct interaction of the CtN group with a silicon dangling bond. Two different reaction paths follow; the first path occurs by the adjoined carbon atom adsorption producing four-member-ring product -Si-N-C-(CN)Si-, similar to the HCN molecule adsorbing sideway on this surface. The other path occurs by the adsorption of the second nitrogen atom with another Si atom producing a six-member-ring product, -Si-N-C-C-N-Si-. The mechanisms for the decomposition of these adsorbates have been elucidated. The result of our calculation with the double-dimer surface model reveals that the reaction barriers are somewhat lower than single-dimer system for either CC or CN bond-breaking processes but with a similar trend. The predicted stabilities of various surface species from physisorbed C 2 N 2 to chemisorbed CN radicals and silicon nitride and silicon carbide are consistent with the results of our previous studies using HREELS, XPS, UPS, and TPD methods as well as with others' data for similar reactions of CN-containing species with the Si(100)-2 × 1 surface. The predicted result for adsorption of two C 2 N 2 based on both surface models indicates a significant decrease in the adsorption energy for the second C 2 N 2 molecule.

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Section: Resultssupporting

confidence: 74%

Adsorption and Reaction of C₂N₂ on Si(100)-2 × 1: A Computational Study with Single- and Double-Dimer Cluster Models

Wang

Lin

2004

J. Phys. Chem. B

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“…DCN is also observed (Walsh et al 1978) after 5 min of irradiation with bands at 2624.3, 2576.2, 2566.7 and 1931.9 cm −1 . Note that in this spectral range, we also observe a band at 2668 cm −1 due to the ν 2 +ν 5 combination mode of C 2 N 2 (Andrews et al 1984). After longer irradiation times, the dimers, trimers and oligomers of DCN are also detected.…”

Section: N 2 Vuv Irradiation In Ar Matrixmentioning

confidence: 54%

CN radical hydrogenation from solid H₂ reactions, an alternative way of HCN formation in the interstellar medium

Borget

Müller

Grote

et al. 2017

A&A

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Context. Molecular hydrogen (H 2 ) is the most abundant molecule of the interstellar medium (ISM) in gas phase and it has been assumed to exist in solid state or as coating on grains. Aims. Our goal is to show that solid H 2 can act as a hydrogenation agent, reacting with CN radicals to form HCN. Methods. In a H 2 matrix, we studied the hydrogenation of the CN radical generated from the vacuum ultraviolet photolysis (VUVphotolysis) of C 2 N 2 at 3.8 K. We modified the wavelengths and the host gas in order to be sure that CN radicals can abstract H from H 2 molecules. Results. HCN monomers, dimers, and oligomers have been characterised by Fourier transform infrared spectroscopy (FTIR). H 2 CN as well as CN radicals have also been clearly observed during the photolysis performed at 3.8 K.Conclusions. H 2 is a hydrogenation reagent towards CN radicals producing HCN. This type of reaction should be taken into account for the reactivity at low temperature in contaminated H 2 ice macro-particles (CHIMPs), H 2 flakes or in the first sublayers of grains where solid H 2 has accumulated.

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“…This is indicated by the presence of the TPD peak at 150-160 K for C2N2"1" species, the Ca and Na XPS peaks at 287.6 and 399.8 eV, respectively, the 15.5 eV peak in UPS, and those in HREELS (2.5 langmuirs), which are very similar to the ones observed in a Raman spectrum for solid C2N2 and the HREELS for multilayer C2N2 on Pd surfaces. [6][7][8][9][10]22 After the ~2 langmuir C2N2-exposed surface was warmed to 250 K, the XPS, UPS, and HREEL spectra are similar to those taken from the samples with lower C2N2 exposures (<1 langmuir). The intense peaks at 287.6 and 399.8 eV for Cis and Nis XPS disappeared because of the desorption of the overlayer adsorbate.…”

Section: Resultsmentioning

confidence: 99%

Thermal Decomposition of C2N2 on Si(100)-2x1 and Si(111)-7x7

Lin³

1995

J. Phys. Chem.

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Raman and infrared spectra of crystalline cyanogen

Cited by 15 publications

References 6 publications

Adsorption and Reaction of C₂N₂ on Si(100)-2 × 1: A Computational Study with Single- and Double-Dimer Cluster Models

Adsorption and Reaction of C₂N₂ on Si(100)-2 × 1: A Computational Study with Single- and Double-Dimer Cluster Models

CN radical hydrogenation from solid H₂ reactions, an alternative way of HCN formation in the interstellar medium

Thermal Decomposition of C2N2 on Si(100)-2x1 and Si(111)-7x7

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Raman and infrared spectra of crystalline cyanogen

Cited by 15 publications

References 6 publications

Adsorption and Reaction of C2N2 on Si(100)-2 × 1: A Computational Study with Single- and Double-Dimer Cluster Models

Adsorption and Reaction of C2N2 on Si(100)-2 × 1: A Computational Study with Single- and Double-Dimer Cluster Models

CN radical hydrogenation from solid H2 reactions, an alternative way of HCN formation in the interstellar medium

Thermal Decomposition of C2N2 on Si(100)-2x1 and Si(111)-7x7

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Adsorption and Reaction of C₂N₂ on Si(100)-2 × 1: A Computational Study with Single- and Double-Dimer Cluster Models

Adsorption and Reaction of C₂N₂ on Si(100)-2 × 1: A Computational Study with Single- and Double-Dimer Cluster Models

CN radical hydrogenation from solid H₂ reactions, an alternative way of HCN formation in the interstellar medium