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DOE OSTI2020

Materials Data on CCl2O by Materials Project

COCl2 crystallizes in the tetragonal I4_1/a space group. The structure is zero-dimensional and consists of sixteen phosgene molecules. C4+ is bonded in a trigonal planar geometry to one O2- and two Cl1- atoms. The C–O bond length is 1.20 Å. There is one shorter (1.73 Å) and one longer (1.75 Å) C–Cl bond length. O2- is bonded in a single-bond geometry to one C4+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one C4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one C4+ atom.

36 MATERIALS SCIENCE↗

NASA NTRS1994

Ultraviolet absorption cross-sections of some carbonyl compounds and their temperature dependence

Ultraviolet absorption cross-section of phosgene (CCl2O), trichloroacetylchloride (CCl3-CClO) and trichloroacetaldehyde (CCl3-CHO) have been measured between 170 and 320 nm for temperature ranging from 210 to 295 K with classical double beam equipment. These data are compared with other available determinations performed at room temperature. Photodissociation coefficients are estimated and their temperature dependence is discussed. Impact of the photodissociation on the total atmospheric destruction of these compounds is illustrated.

Gillotay, D.↗