52218-20-9Relevant academic research and scientific papers
Hg(3P) Photosensitized Chemistry of Ethyl Halides in Krypton Matrix
Cartland, Harry E.,Pimentel, George C.
, p. 8021 - 8025 (1989)
The reaction of Hg atoms in the 3P state with the ethyl halides is studied in krypton matrix.The primary products result from molecular elimination, though the behavior of ethyl fluoride is different from that of ethyl chloride and bromide in that H2 elimination is observed exclusively rather than the hydrogen halide elimination that predominates for the other ethyl halides.Some insertion of Hg into C-Cl and C-Br bonds occurs, a process absent in the gas-phase photochemistry.
Photolysis of Matrix-Isolated Acryloyl Chloride: 1,3 Chlorine Migration and Further Evolutions
Pietri, Nathalie,Monnier, Maurice,Aycard, Jean-Pierre
, p. 2462 - 2468 (2007/10/03)
Photolysis, at λ ≥ 310 nm (ΔE -1), of acryloyl chloride 1 isolated in argon matrixes at 10 K yields 3-chloro-1,2-propenone 4 through 1,3-chlorine migration. There is no evidence of cyclopropenone or propadienone formation. 4 is also synthesized by irradiation of 3-chloropropanoyl chloride (λ ≥ 230 nm) isolated in argon matrix at 10 K. Identification is performed by comparison of experimental FT-IR spectrum with calculated ones (ab initio calculations at the 6-31G** level). Irradiation of 1 at λ ≥ 230 nm induces the photolysis of 4 which breaks into CO and the postulated transient 2-chloroethylidene 5 and/or into propadienone 2 complexed by HCL The transient 5 collapses to form ground-state vinyl chloride 6 by 1,2 hydrogen migration. In the next step, 2 loses CO to form a new transient assumed to be vinylidene 7 which yields ethyne by intramolecular isomerization process and vinyl chloride by intermolecular reaction with HCl trapped in the same cage. CO, HCl, ethyne, and vinyl chloride are the final reaction products. Modeling of the 1,3 chlorine migration process from 1 using ab initio calculations at the MP2/6-31G* level is performed in the ground state (S0) and the first singlet excited state (S1). The reaction energy value for an S1 (509 kJ/mol) state process is higher than for an S0 process (207.2 kJ/mol), these theoretical results suggesting the reaction take place in the ground state.
Infrared Spectra of Hydrogen-Bonded ? Complexes between Hydrogen Halides and Acetylene
McDonald, Stephen A.,Johnson, Gary L.,Keelan, Brian W.,Andrews, Lester
, p. 2892 - 2896 (2007/10/02)
Hydrogen-bonded ? complexes C2H2--H-X have been formed by codeposition of C2H2 and HX in excess argon at 15 K and by vacuum-UV photolysis of vinyl halides.The strength of the hydrogen bond, as measured by the displacement of the H-X vibrational fundamental below the isolated HX value, decreases in the series HF, HCl, and HBr as expected.Similar complexes made from di- and thichloroethylenes give slightly higher H-Cl vibrations which show minimal interaction between the halide and the acetylene substituent.The H-F fundamentals for C2H4 and C2H2 complexes at 3732 and 3747 cm-1, respectively, show that the ? electrons in double and triple bonds are comparable hydrogen-bond acceptors.
