67356-66-5Relevant academic research and scientific papers
Matrix Isolation Study of the Dissociation and Isomerization Pathways of Benzene following Corona Discharge Excitation
Bai, Hebi,Ault, Bruce S.
, p. 9169 - 9172 (1992)
Reactions of C6H6 and C6D6 after exposure to a corona-excited discharge have been studied by the trapping of products into an argon matrix at 14 K.Infrared spectroscopy was employed to identify product species; most were known species and identified by comparison to literature spectra.Tentative assignments for several previously unreported deuterated products are made.The product distribution included species from both rearrangement and dissociation processes.In general, the product distribution differed from previous UV irradiation studies; a mechanism for product formation is proposed.The effectiveness of the corona excitation discharge as a simple source for the generation of transient organic species for matrix spectroscopic study was confirmed.
Infrared spectrum of o-benzyne: Experiment and theory
Radziszewski, Juliusz G.,Hess Jr., B. Andes,Zahradnik, Rudolf
, p. 52 - 57 (2007/10/02)
The complete set of vibrational frequencies and absolute infrared intensities has been determined for o-benzyne and two of its isotopomers: C6D4 and 1,2-13C2C4H4. In addition, for the majority of the transitions symmetries were assigned from infrared linear dichroism of the matrix-isolated samples, photooriented with polarized light during several photochemical transformations. Thermal relaxation of the high static pressure created by the initial photofragmentation causes dramatic changes of the fine site structure of each band of o-benzyne and results in a single-site infrared absorption spectra. A high-resolution, single-site vibrational spectrum was also obtained independently from laser hole-burning experiments. Band-shape analysis in different inert gas matrices (Ne, Ar, Xe, N2, and CO) greatly facilitates the correlation of isotopomer bands with those of unlabeled o-benzyne. The triple bond stretching vibration appears at 1846 cm-1 in a Ne matrix, with an experimental absolute intensity of 2.0 ± 0.4 km/mol in the unlabeled o-benzyne and is polarized along the symmetry axis. It is red-shifted by 2 cm-1 in the perdeutero-o-benzyne and by 53 cm-1 in the doubly 13C-labeled compound, in very good agreement with our theoretical prediction (MP2/6-31G**) and previous gas-phase data for o-benzyne.
DETERMINATION OF THE HEAT OF FORMATION OF ORTHO-BENZYNE BY ION CYCLOTRON RESONANCE SPECTROSCOPY
Pollack, Steven K.,Hehre, Warren J.
, p. 2483 - 2486 (2007/10/02)
Ion Cyclotron Resonance Spectroscopy has been employed to obtain a value for the heat of formation of ortho-benzyne of 118+/-5 kcal mol-1.
