towards practical molecular devices
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Towards Practical Molecular Devices. Noel O’Boyle Han Vos Research Group X246. Introduction. Molecular device “capable of performing a useful function at the molecular level”. Supermolecule “has the intrinsic properties of each of its components” - PowerPoint PPT PresentationTRANSCRIPT
Towards Practical Molecular Devices
Noel O’BoyleHan Vos Research Group X246
Introduction Molecular device
“capable of performing a useful function at the molecular level”
Supermolecule “has the intrinsic properties of each of its
components” “has properties above and beyond those of
the individual components”
Supramolecular chemistry
Ground state
Excited state
Supramolecular chemistry
Ground state
Excited state
Supramolecular chemistry
Ground state
Excited state (1)
Supramolecular chemistry
Ground state
Excited state (1)
Supramolecular chemistry
Ground state
Excited state (1)
Excited state (2)
Supramolecular chemistry
Ground state
Metal-Metal dyads
RuN
N
NN
OHO
OHO
O
OH
O
OH
N
NN
NN
RuN
N
N N
RuN
N
NN
OHO
OHO
O
OH
O
OH
N
NN
NN
OsN
N
N N
Ru-Ru Ru-Os
3+ 3+
Molecular device
Ru
e-
TiO2- +
Molecular device
e-
e-
-
+
Charge injection
Can be studied using: UV-Vis of ruthenium complex UV-Vis of TiO2
Lifetime of excited state of ruthenium complex
But occurs in <100 fs! (ultrafast)
Outline of future work
Slow down the charge injection
Change surface roughnesses
Use different surfaces
Use different complexes
Semiempirical calculations Using ZINDO (in Hyperchem) to find:
Orbital energies Location of HOMO levels Contribution of ligands and metal
centres to orbitals Assign the peaks in the UV-Vis
spectrum to specific transitions between energy levels
H H-1 H-2
-8.94 eV -9.55 eV -9.64 eV 22% Ru, 74% LL, 3% bpy 38% Ru, 54% LL, 8% bpy 74% Ru, 4% LL, 22% bpy
[Ru(bpy)2(pytrzph(OMe)2)]+
Acknowledgements Prof. Han Vos Han Vos Research Group
Enterprise Ireland
For more information see:http://www.dcu.ie/~chemist/Staffpages/han_vos.htm