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Photocycloaddition of 9,10-dichloroanthracene to 2,5-dimethyl-2,4-hexadiene. The singlet pathway for [4 + 2]-adduct formation in benzene

Journal Article · · Journal of the American Chemical Society
; ; ;  [1];  [2]
  1. Florida State Univ., Tallahassee, FL (United States)
  2. Oak Ridge National Lab., TN (United States)

Irradiation of 9,10-dichloroanthracene (DCA) in the presence of 2,5-dimethyl-2,4-hexadiene (DMHD) in benzene at 25{degree}C gives a single adduct (Ad) corresponding to [4 + 2] addition of DMHD to the 9,10 positions of DCA. Quantum yields for Ad formation are reported as a function of [DMHD], [DCA], and methyl iodide concentration. [MeI]. Fluorescence quantum yields and lifetimes of DCA and (DCA/DMHD) singlet exciplex as a function of [MeI] are also reported. Transient absorption measurements reveal the time evolution of excited DCA singlet, {sup 1}DCA, and triplet, {sup 3}DCA, states and of the (DCA/DMHD) singlet exciplex, {sup 1}(DCA-DMHD). They show that the dominant decay path from {sup 1}(DCA-DMHD) gives {sup 3}DCA. Quenching of {sup 1}DCA and exciplex fluorescence and transient absorption by MeI are observed. The dependence of Ad quantum yields on [DMHD] and the strict proportionally between product quantum yields and exciplex fluorescence quantum yields at different [MeI] establish singlet mechanism for adduct formation. Assuming that Ad is a primary photoproduct, the results are consistent with Yang`s proposal of stepwise collapse of polar exciplexes to seemingly forbidden cycloadducts. A singlet biradical could be the intermediate, but intersystem crossing of the singlet exciplex to a triplet biradical as the initial step cannot be ruled out. 41 refs., 8 figs., 5 tabs.

Sponsoring Organization:
USDOE
DOE Contract Number:
AC05-84OR21400
OSTI ID:
106779
Journal Information:
Journal of the American Chemical Society, Journal Name: Journal of the American Chemical Society Journal Issue: 36 Vol. 117; ISSN JACSAT; ISSN 0002-7863
Country of Publication:
United States
Language:
English

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