title: Dye-sensitized solar cells and complexes between pyridines and iodines. A NMR, IR and DFT study.
abstract: Interactions between triiodide (I(3)(-)) and 4-tert-butylpyridine (4TBP) as postulated in dye-sensitized solar cells (DSC) are investigated by means of (13)C NMR and IR spectroscopy supported by DFT calculations. The charge transfer (CT) complex 4TBP·I(2) and potential salts such as (4TBP)(2)I(+), I(3)(-) were synthesized and characterized by IR and (13)C NMR spectroscopy. However, mixing (butyl)(4)N(+), I(3)(-) and 4TBP at concentrations comparable to those of the DSC solar cell did not lead to any reaction. Neither CT complexes nor cationic species like (4TBP)(2)I(+) were observed, judging from the (13)C NMR spectroscopic evidence. This questions the previously proposed formation of (4TBP)(2)I(+) in DSC cells.
authors.affiliation: Department of Science, Systems and Models, Roskilde University, P.O. Box 260, DK-4000 Roskilde, Denmark. poulerik@ruc.dk
authors.forename: Poul Erik
authors.initials: PE
authors.lastname: Hansen
authors.forename: Phuong Tuyet
authors.initials: PT
authors.lastname: Nguyen
authors.forename: Jacob
authors.initials: J
authors.lastname: Krake
authors.forename: Jens
authors.initials: J
authors.lastname: Spanget-Larsen
authors.forename: Torben
authors.initials: T
authors.lastname: Lund
mesh_terms: D004396:Coloring Agents / Q000138:chemical synthesis / Q000737:chemistry*; D007454:Iodides / Q000138:chemical synthesis / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D011725:Pyridines / Q000138:chemical synthesis / Q000737:chemistry*; D012993:Solar Energy; D013055:Spectrophotometry, Infrared
chemical_list: D004396:Coloring Agents; D007454:Iodides; D011725:Pyridines