Comment on "€œDensity functional theory study of 1,2-€dioxetanone decomposition in condensed phase€"

• In the preceding paper results are presented, which are in serious conflict with state-of-the-art ab initio method. Based on these new results the authors propose a new explanation of the reason for the preferential production of a phosphorescent state. Here we show that these controversial results are flawed, since the model use exclude biradical electron structures.

Subject headings

NATURVETENSKAP  -- Kemi -- Teoretisk kemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)

Keyword

1

2-dioxetanone

thermal dissociation

chemiluminescence

Chemistry

Kemi

Publication and Content Type

ref (subject category)

art (subject category)