期刊
JOURNAL OF PHYSICAL CHEMISTRY A
卷 114, 期 3, 页码 1334-1337出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp905757p
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资金
- National Science Foundation [CHE04-54874, CHE0808964]
- National Science Foundation
- Division Of Chemistry
- Direct For Mathematical & Physical Scien [0808964] Funding Source: National Science Foundation
The meta- and para-bis-allylbenzene radical anions have been generated and investigated using mass spectrometry. The ions are formed by reaction of the corresponding bis-2-propenylbenzenes with atomic oxygen anion. Reactivity of the ions indicates that the ions most likely have a bis-allylbenzene structure. Reaction of the ions with carbon disulfide creates CS, adducts, which, upon collision-induced dissociation, decompose to regenerate the bis-allylbenzene anion or carbon disulfide radical anion. The branching ratios for the two products indicate differences in the electronic structures of the neutral bis-allylbenzene diradicals. The difference in branching ratios and corresponding estimated electron affinities is interpreted in terms of different electronic states being formed, with the para diradical a singlet and the meta diradical either a ground-state triplet or a singlet with a very small singlet-triplet splitting. The difference in electron affinities is used to estimate a singlet-triplet splitting of 0.06 eV for the para diradical. The Studies show that topology can be used to control the electronic properties of disjoint, tetramethyleneethane (TME)-like diradicals.
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