Metal/conjugated polymers interactions

In this paper, we report a theoretical characterisation of the metal/conjugated polymer Interaction involving Al and Ca. The two metals, which are of current Interest in device epplications, are likely to interact differently with the polymer since Ca is divalent (4s ), whereas Al is trivalent (3s 3p ). Benzene and hexatriene are chosen to model the conjugated materials. These model molecules represent fundamental units of important n-conjugated hydrocarbon polymers used in device preparation polyacetylene, poly(p-phenylene), and poly(p-phenylene-vinylene) ... 

Theoretical Studies of Metal/Conjugated Polymer Interfaces Aluminum and Calcium Interacting with 7i-Conjugated Systems... 

C. Fredriksson and J. L. Bredas, Metal/conjugated polymer interfaces a theoretical investigation of the interaction between aluminum and trans-polyacetylene oligomers, J. Chem. Phys. 98 4253 (1993). 

Although the exact mechanism of the fluorenone formation is not known, it is believed that the monoalkylated fluorene moieties, present as impurities in poly(dialkylfluorenes), are the sites most sensitive to oxidation. The deprotonation of rather acidic C(9)—H protons by residue on Ni(0) catalyst, routinely used in polymerization or by metal (e.g., calcium) cathode in LED devices form a very reactive anion, which can easily react with oxygen to form peroxides (Scheme 2.26) [293], The latter are unstable species and can decompose to give the fluorenone moiety. It should also be noted that the interaction of low work-function metals with films of conjugated polymers in PLED is a more complex phenomenon and the mechanisms of the quenching of PF luminescence by a calcium cathode was studied by Stoessel et al. [300],... 

Divisia-Blohom B, Genoud F, Borel C, Bidan G, Kem J-M, Sauvage J-P. Conjugated polyme-tallorotaxanes in-situ ESR and conductivity investigations of metal-backbone interactions. J Phys Chem B 2003 107 5126-5132. 

First, satellite structure on the high binding energy side of, for example, an XPS core-level line (or peak ) corresponds to so-called shake-up (referred to below as s.u. ) and shake-ofF2S-29 effects, the former of which is illustrated, by M+, in Fig. 3.1. Shake-off is just shake-up to the continuum rather than to an unoccupied molecular state. Considerations of (1) are important in comparisons with the results of model calculations while (2) is of use as an indication of the electronic transitions in the molecules under study, an example of which is found in studies of the early stages of interface formation, i.e., the interactions of reactive metal atoms with conjugated polymer surfaces. Since use will be made of these effects in subsequent chapters, they are outlined briefly below. 

Hybrid materials which combine the electronic conductivity of thiophene-conjugated polymers and the redox and optical properties of metal complexes are being developed to take advantage of synergistic electronic interactions. 

---