Gas phase unimolecular decomposition and chemiluminescence of tetramethyldioxetane initiated by a tea CO2 laser

Haas, Yehuda; Yahav, Giora

doi:10.1016/0009-2614(77)80214-5

Cited by 45 publications

(7 citation statements)

References 18 publications

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“…Experimental features on thermolysis, energetics, and yields of chemiexcitation are summarized as follows. ,,,,, …”

Section: Summary Of Experimental Resultsmentioning

confidence: 99%

“…A series of methyl-substituted dioxetanes were synthesized by Adam and Baader, and it was found that the stabilities and quantum yields of chemiluminescence were significantly affected by the methyl group substitution. Infrared lasers were used to investigate the dynamics of chemiluminescence of 3,3,4,4-tetramethyl-1,2-dioxetane (TMDO); a short-lived X-emission band was found, but its origin has not yet been clarified. − …”

Section: Introductionmentioning

confidence: 99%

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Ab Initio Molecular Orbital Studies on the Chemiluminescence of 1,2-Dioxetanes

Tanaka

2000

J. Phys. Chem. A

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The mechanism of chemiluminescence of 1,2-dioxetane (DO) and 3,3,4,4-tetramethyl-1,2-dioxetane (TMDO) are investigated by the ab initio molecular orbital calculation. The rate-determining step of the chemiluminescent reaction is the O−O bond breaking to form the biradicals. The potential energies along the reaction path are calculated by uB3LYP and uB3P86 methods with 6-31+G(d); the calculated potential barriers are in reasonable agreement with experimental activation energies. An overview of the potential surfaces for overall reaction is obtained. The intersystem crossing mechanism from the singlet biradical to the triplet state is investigated, and the reaction path is followed to the 3(nπ*) excited states of the carbonyl group of respective fragment molecules. The mechanism of promotion to the 1(nπ*) excited state of formaldehyde is investigated by the MCSCF method on DO. The reaction rates and the yield of chemiluminescence are discussed by the RRKM theory of unimolecular reaction.

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“…Experimental features on thermolysis, energetics, and yields of chemiexcitation are summarized as follows. ,,,,, …”

Section: Summary Of Experimental Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Ab Initio Molecular Orbital Studies on the Chemiluminescence of 1,2-Dioxetanes

Tanaka

2000

J. Phys. Chem. A

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“…1 We recently used this technique to study the unimolecular dissociation of tetramethyldioxetane (TMD), utilizing the 10.2-µ line of a TEA CO2 laser. 2 The thermal dissociation of dioxetane3 has been of considerable interest for some time now, as it provides a means for "photochemistry without light".…”

Section: Communications To the Editormentioning

confidence: 99%

Infrared laser multiphoton dissociation of tetramethyldioxetane: direct observation of triplet acetone

Haas¹,

Yahav²

1978

J. Am. Chem. Soc.

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“…Experimental details can be found elsewhere. ", 23, 24 Here we shall concentrate on the following topics:…”

Section: A Introductory Notesmentioning

confidence: 99%

Gas phase unimolecular decomposition and chemiluminescence of tetramethyldioxetane initiated by a tea CO2 laser

Cited by 45 publications

References 18 publications

Ab Initio Molecular Orbital Studies on the Chemiluminescence of 1,2-Dioxetanes

Ab Initio Molecular Orbital Studies on the Chemiluminescence of 1,2-Dioxetanes

Infrared laser multiphoton dissociation of tetramethyldioxetane: direct observation of triplet acetone

Electronically Excited Fragments Formed by Unimolecular Multiple Photon Dissociation

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