Francesco Talotta

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A set of density functionals coming from different rungs on Jacob's ladder is employed to evaluate the electronic excited states of three Ru(II) complexes. While most studies on the performance of density functionals compare the vertical excitation energies, in this work we focus on the energy gaps between the electronic excited states, of the same and(More)
Ruthenium nitrosyl complexes are fascinating versatile photoactive molecules that can either undergo NO linkage photoisomerization or NO photorelease. The photochromic response of three ruthenium mononitrosyl complexes, trans-[RuCl(NO)(py)₄]2+, trans-[RuBr(NO)(py)₄]2+, and trans-(Cl,Cl)[RuCl₂(NO)(tpy)]⁺, has been investigated using density functional theory(More)
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