Hey you! =)) The band at 510 nm is due to the d-d transition while the

bands at 270 and 350 nm are attributed to the charge transfer transitions.

Grobelny, R., Jeowska-Trzebiatowska, B., Wojciechowski, W., J. Inorg.

Nucl. Chem., 1966, 28, 2715

Dear Prof. Bruno, It will be very much helpful, if you can add detail transitions.  So that it can be useful for other types of dyes also. 

Also, I request you to please add some literature relted to above topic.

Thank you si in advance

Warm Regards and Best Wishes

Suhail Sayyed

Please answer the following questions prior to start a theoretical investigation:

I work with ruthenium acetylacetonate

own synthesis or bought  (p.e Aldrich purity 97 %) ?

spectrum recorded with single , dual beam or diode arrays? What a kind of cuvettes (quartz or plastic?)

Concentration of ruthenium acetylacetonate (III)? Solubility in water ? Bidest used?

Please read the following link :

https://en.wikipedia.org/wiki/Ruthenium(III)_acetylacetonate.

Bruno found the Grobelny ref. propably in Wikipedia too.

Ruthenium acetylacetonate (III)  is INSOLUBLE in WATER.

I THINK that you recorded the spectrum of impurities instead the true spectrum.

Have you recorded the UV-Vis spectrum of acetylacetone alone ? It must be destilled and dry prior to use!

and I need to know which absorption band corresponds to which transition.

Are you familiar with the interpretation of UV-Vis spectra ? What a method do you want to use? With the help of colleagues (Comput. center)you can use  TD /DFT p.e.

I record the spectrum in water and I get 3 main bands with max absorbance at 270, 350 and 510 nm. Now I need to know which is responsible for which. Any suggestions how can I calculate/find that?

Please record the spectrum in acetonitrile or DMF. Cut off of acetonitrile or DMF is important

How can I assign the electronic transition type to each absorption band in UV-VIS spectrum? -

You cannot  assign the elect. transitions without to have the true UV-Vis spectrum of your chelate!

JRG

Dear Joanna,

please don 't collect the answers but give an answer to  the answers.

JRG