The highest occupied iron orbital is shown as a green-red cloud.
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As soon as a cyan group is present, the outer iron orbitals are observed to delocalize so that electrons are also densely present around the nitrogen atoms. They were able to show why certain compounds have the potential to convert light into electrical energy.
The results are important for the development of organic solar cells. The study has now been published in the journal PCCP, and its illustration selected for the cover.
Transition-metal complexes - that is a cumbersome word for a class of molecules with important properties: An element from the group of transition metals sits in the centre. The outer electrons of the transition-metal atom are located in cloverleaf-like extended d-orbitals that can be easily influenced by external excitation.
Some transition-metal complexes act as catalysts to accelerate certain chemical reactions, and others can even convert sunlight into electricity. However, it has not yet been possible to replace the rare and expensive transition metal ruthenium with a less expensive element, such as iron.
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This is astonishing, because the same number of electrons is found on extended outer d-orbitals of iron. However, excitation with light from the visible region does not release long-lived charge carriers in most of the iron complex compounds investigated so far.
The group headed by Prof. They anastasia dating site chart able to measure how much energy of this light was absorbed by the molecules using a method named resonant inelastic X-ray scattering, or RIXS. They investigated complexes in which the iron atom was surrounded either by bipyridine molecules or cyan groups CNas well as mixed forms in which the iron centre is bound to one bipyridine and four cyan groups each.
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Result: mixed forms could work The team members worked in shifts for two weeks in order to obtain the necessary data. The situation changes only once two of the cyano groups are replaced by a bipyridine molecule. The results show that inexpensive transition-metal complexes could also be suitable for use in solar cells — if they are surrounded by suitable molecule groups.
So there is still a rich field here for material development.
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