K. Szacilowski, Digital Information Processing in Molecular Systems, Chem. Rev, vol.108, pp.3481-3548, 2008.

J. Andréasson and U. Pischel, Smart Molecules at Work-Mimicking Advanced Logic Operations, Chem. Soc. Rev, vol.39, pp.174-188, 2010.

H. Dürr, Photochromism: Molecules and Systems, 1990.

H. Bouas-laurent and H. Dürr, Organic Photochromism. Pure Appl. Chem, vol.73, pp.639-665, 2001.

M. Irie, Diarylethenes for Memories and Switches, Chem. Rev, vol.100, pp.1685-1716, 2000.

Y. Yokoyama, Fulgides for Memories and Switches, Chem. Rev, vol.100, pp.1717-1739, 2000.

G. Berkovic, V. Krongauz, and V. Weiss, Spiropyrans and Spirooxazines for Memories and Switches, Chem. Rev, vol.100, pp.1741-1753, 2000.

J. C. Crano and R. J. Guglielmetti, Organic Photochromic and Thermochromic Compounds, 1998.

P. Gütlich, Y. Garcia, and T. Woike, Photoswitchable Coordination Compounds, Coord. Chem. Rev, pp.839-879, 2001.

J. J. Rack, Excited State Isomerization in Photochromic Ruthenium Complexes, Z. Kristallogr, vol.223, pp.356-362, 2008.

J. J. Rack, Electron Transfer Triggered Sulfoxide Isomerization in Ruthenium and Osmium complexes, Coord. Chem. Rev, vol.253, pp.78-85, 2009.

B. A. Mcclure and J. J. Rack, Isomerization in Photochromic Ruthenium Sulfoxide Complexes, Eur. J. Inorg. Chem, pp.3895-3904, 2010.

T. E. Bitterwolf, Photochemical Nitrosyl Linkage Isomerism/Metastable States, Coord. Chem. Rev, vol.250, pp.1196-1207, 2006.

P. Coppens, I. Novozhilova, and A. Kovalevsky, Photoinduced Linkage Isomers of Transition-Metal Nitrosyl Compounds and Related Complexes, Chem. Rev, vol.102, pp.861-883, 2002.

T. T. To, C. B. Duke, C. S. Junker, C. M. O'brien, C. R. Ross et al., Linkage Isomerization as a Mechanism for Photochromic Materials: Cyclopentadienylmanganese Tricarbonyl Derivatives with Chelatable Functional Groups, Organometallics, vol.27, pp.289-296, 2008.

S. Kume and H. Nishihara, Photochrome-Coupled Metal Complexes: Molecular Processing of Photon Stimuli, Dalton Trans, vol.25, pp.3260-3271, 2008.

M. K. Smith, J. A. Gibson, C. G. Young, J. A. Broomhead, P. C. Junk et al., Photoinduced Ligand Isomerization in Dimethyl Sulfoxide Complexes of Ruthenium(II), Eur. J. Inorg. Chem, pp.1365-1370, 2000.

J. J. Rack, J. R. Winkler, and H. B. Gray, Phototriggered Ru(II)-dimethylsulfoxide Linkage Isomerization in Crystals and Films, J. Am. Chem. Soc, vol.123, pp.2432-2433, 2001.

J. J. Rack and N. V. Mockus, Room-Temperature Photochromism in cis-and trans-[Ru(bpy) 2 (dmso) 2 ] 2+, Inorg. Chem, vol.42, pp.5792-5794, 2003.

B. A. Mcclure, N. V. Mockus, D. P. Butcher, D. A. Lutterman, C. Turro et al., Photochromic Ruthenium Sulfoxide Complexes: Evidence for Isomerization Through a Conical Intersection, Inorg. Chem, vol.48, pp.8084-8091, 2009.

B. A. Mcclure and J. J. Rack, Two-Color Reversible Switching in a Photochromic Ruthenium Sulfoxide Complex, Angew. Chem. Int. Ed, vol.48, pp.8556-8558, 2009.

D. A. Johnson and V. C. Dew, Photochemical Linkage Isomerization in Coordinated SO 2, Inorg. Chem, vol.18, pp.3273-3274, 1979.

S. O. Sylvester, J. M. Cole, and P. G. Waddell, Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction, J. Am. Chem. Soc, vol.134, pp.11860-11863, 2012.

A. Börner and . Ed, Phosphorus Ligands in Asymmetric Catalysis, Synthesis and Applications, 2008.

J. V. Caspar and T. J. Meyer, Photochemistry of MLCT Excited-States. Effect of Nonchromophoric Ligand Variations on Photophysical Properties in the Series cis-Ru(bpy) 2 L 2 2+, Inorg. Chem, vol.22, pp.2444-2453, 1983.

N. C. Fletcher and F. R. Keene, New Synthetic Route to Monocarbonyl Polypyridyl Complexes of Ruthenium: their Stereochemistry and Reactivity, J. Chem. Soc, vol.14, pp.2293-2301, 1998.

I. M. Dixon, E. Lebon, P. Sutra, and A. Igau, Luminescent Ruthenium-Polypyridine Complexes & Phosphorus Ligands: Anything but a Simple Story, Chem. Soc. Rev, vol.38, pp.1621-1634, 2009.

E. Lebon, S. Bastin, P. Sutra, L. Vendier, R. E. Piau et al., Can a Functionalized Phosphine Ligand Promote Room Temperature Luminescence of the, Chem. Commun, vol.48, pp.741-743, 2012.
URL : https://hal.archives-ouvertes.fr/hal-00832349

I. M. Dixon, E. Lebon, G. Loustau, P. Sutra, L. Vendier et al., Broad HOMO-LUMO Gap Tuning Through the Coordination of a Single Phosphine, Aminophosphine or Phosphite onto a, Dalton Trans, pp.5627-5635, 2008.

E. Niecke, M. Engelmann, H. Zorn, B. Krebs, and G. Henkel, Phosphazenes of Coordination Number 2 and Number 3

, Complex-Stabilization of an aminooxophosphane (Phosphinidene Oxide), Angew. Chem., Int. Ed. Engl, vol.19, pp.710-712, 1980.

P. B. Hitchcock, J. A. Johnson, M. A. Lemos, M. Meidine, J. F. Nixon et al., Novel Synthesis of a Phosphinidene Oxide-?P (RP=O, R = Bu t CH 2 -) Complex of Rhenium(I) from a Phosphaalkyne Precursor. Crystal and Molecular Structure of

, J. Chem. Soc., Chem. Commun, pp.645-646, 1992.

M. Alonso, M. E. García, M. A. Ruiz, H. Amidov, and J. C. Jeffery, Chemistry of the Phosphinidene Oxide Ligand, J. Am. Chem. Soc, vol.126, pp.13610-13611, 2004.

M. A. Alvarez, M. E. García, R. González, A. Ramos, and M. A. Ruiz, Chemical and Structural Effects of Bulkness on Bent-Phosphinidene Bridges: Synthesis and Reactivity of the Diiron Complex, Organometallics, vol.29, pp.1875-1878, 2010.

M. Alonso, M. A. Alvarez, M. E. García, D. García-vivo, M. A. Ruiz et al., ) and Their Reactions with H + and C-Based Electrophiles, Chemistry of the Oxophosphinidene Ligand. 1. Electronic Structure of the Anionic Complexes, vol.2, pp.8962-8976, 2010.

M. Alonso, M. A. Alvarez, M. E. García, M. A. Ruiz, H. Hamidov et al., ) Toward Electrophiles Based on Elements Different from Carbon, Chemistry of the Oxophosphinidene Ligand. 2. Reactivity of the Anionic Complexes, vol.49, pp.11595-11605, 2010.

I. Ciofini, C. A. Daul, and C. Adamo, Phototriggered Linkage Isomerization in Ruthenium-Dimethylsulfoxyde Complexes: Insights from Theory, J. Phys. Chem. A, vol.107, pp.11182-11190, 2003.

A. J. Göttle, I. M. Dixon, F. Alary, J. Heully, and M. Boggio-pasqua, Adiabatic Versus Nonadiabatic Photoisomerization in Photochromic Ruthenium Sulfoxide Complexes: A Mechanistic Picture from Density Functional Theory Calculations, J. Am. Chem. Soc, vol.133, pp.9172-9174, 2011.

T. Österman, M. Abrahamsson, H. Becker, L. Hammarström, and P. Persson, Influence of Triplet State Multidimensionality on Excited State Lifetimes of Bis-tridentate Ru-II Complexes: A Computational Study, J. Phys. Chem. A, vol.116, pp.1041-1050, 2012.

M. T. Indelli, S. Carli, M. Ghirotti, C. Chiorboli, M. Ravaglia et al., Triplet Pathways in Diarylethene Photochromism: Photophysical and Computational Study of Dyads Containing Ruthenium(II) Polypyridine and 1,2-Bis(2-methylbenzothiophene-3-yl)maleimide Units, J. Am. Chem. Soc, vol.130, pp.7286-7299, 2008.

M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb et al., , 2009.

Y. Zhao and D. G. Truhlar, Hybrid Meta Density Functional Theory Methods for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions: The MPW1B95 and MPWB1K Models and Comparative Assessments for Hydrogen Bonding and van der Waals Interactions, J. Phys. Chem. A, vol.108, pp.6908-6918, 2004.

J. Dunning, T. H. Hay, and P. , J. Modern Theoretical Chemistry, pp.1-28, 1976.

P. J. Hay and W. R. Wadt, Ab Initio Effective Core Potentials for Molecular Calculations. Potentials for K to Au Including the Outermost Core Orbitals, J. Chem. Phys, vol.82, pp.299-310, 1985.

W. J. Hehre, R. Ditchfield, and J. A. Pople, Self-Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian-Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules, J. Chem. Phys, vol.56, pp.2257-2261, 1972.

P. C. Hariharan and J. A. Pople, The Influence of Polarization Functions on Molecular Orbital Hydrogenation Energies, Theor. Chim. Acta, vol.28, pp.213-222, 1973.

M. M. Francl, W. J. Pietro, W. J. Hehre, J. S. Binkley, M. S. Gordon et al., Self-Consistent Molecular Orbital Methods. XXIII. A Polarization-Type Basis Set for Second-Row Elements, J. Chem. Phys, vol.77, pp.3654-3665, 1982.

D. Andrae, U. Häussermann, M. Dolg, H. Stoll, and H. Preuss, Energy-Adjusted Ab Initio Pseudopotentials for the Second and Third Row Transition Elements, Theor. Chim. Acta, vol.77, pp.123-141, 1990.

A. Schäfer, H. Horn, and R. Ahlrichs, Fully Optimized Contracted Gaussian-Basis Sets for Atoms Li to Kr, J. Chem. Phys, vol.97, pp.2571-2577, 1992.

A. E. Reed, L. A. Curtiss, and F. Weinhold, Intermolecular Interactions from a Natural Bond Orbital, Donor-Acceptor Viewpoint, Chem. Rev, vol.88, pp.899-926, 1988.

C. Adamo and V. Barone, Toward Reliable Density Functional Methods Without Adjustable Parameters: The PBE0 Model, J. Chem. Phys, vol.110, pp.6158-6169, 1999.

R. L. Martin, Natural Transition Orbitals, J. Chem. Phys, vol.118, pp.4775-4777, 2003.

A. Dreuw and M. Head-gordon, Single-Reference Ab Initio Methods for the Calculation of Excited States of Large Molecules, Chem. Rev, vol.105, pp.4009-4037, 2005.

A. Monari, T. Very, J. Rivail, and X. Assfeld, A QM/MM Study on the Spinach Plastocyanin: Redox Properties and Absorption Spectra, Comp. Theor. Chem, vol.990, pp.119-125, 2012.
URL : https://hal.archives-ouvertes.fr/hal-02189804

A. Chantzis, T. Very, A. Monari, and X. Assfeld, Improved Treatment of Surrounding Effects: UV/vis Absorption Properties of a Solvated Ru(II) Complex, J. Chem. Theory Comput, vol.8, pp.1536-1541, 2012.
URL : https://hal.archives-ouvertes.fr/hal-02189251

T. Guillon, M. Boggio-pasqua, F. Alary, J. Heully, E. Lebon et al., Theoretical Investigation on the Photophysical Properties of Model Ruthenium Complexes with Diazabutadiene Ligands [Ru(bpy) 3-x (dab) x ] 2+ (x=1-3), Inorg. Chem, vol.49, pp.8862-8872, 2010.
URL : https://hal.archives-ouvertes.fr/hal-00834690

F. Neese, U. Becker, D. Ganyushin, D. Liakos, S. Kossmann et al., , 2009.

S. Grimme, J. Antony, S. Ehrlich, and H. Krieg, A Consistent and Accurate Ab Initio Parametrization of Density Functional Dispersion Correction (DFT-D) for the 94 elements H-Pu, J. Chem. Phys, p.154104, 2010.

J. Tomasi, B. Mennucci, and R. Cammi, Quantum Mechanical Continuum Solvation Models, Chem. Rev, vol.105, pp.2999-3094, 2005.

J. Heully, F. Alary, M. Boggio-pasqua, and . Spin, Orbit Effects on the Photophysical Properties of Ru, p.3

. 2+, J. Chem. Phys, p.184308, 2009.

O. A. Borg, S. S. Godinho, M. J. Lundqvist, S. Lunell, and P. Persson, Computational Study of the Lowest Triplet State of Ruthenium Polypyridyl Complexes Used in Artificial Photosynthesis, J. Phys. Chem. A, vol.112, pp.4470-4476, 2008.

P. J. Vallett and N. H. Damrauer, Experimental and Computational Exploration of Ground and Excited State Properties of Highly Strained Ruthenium Terpyridine Complexes, J. Phys. Chem. A, vol.117, pp.6489-6507, 2013.

A. Breivogel, M. Meister, C. Förster, F. Laquai, and K. Heinze, Excited State Tuning of Bis(tridentate) Ruthenium(II) Polypyridine Chromophores by Push-Pull Effects and Bite Angle Optimization: A Comprehensive Experimental and Theoretical Study, Chem. Eur. J, vol.19, pp.13745-13760, 2013.

E. J. Derrah, D. A. Pantazis, R. Mcdonald, and L. Rosenberg, A Highly Reactive Ruthenium Phosphido Complex Exhibiting Ru-P ?-Bonding, Organometallics, vol.26, pp.1473-1482, 2007.

J. Wang, R. Lin, Y. Chi, S. Peng, and G. Lee, High-Nuclearity Phosphinidene Clusters. Synthesis, Characterization, and Reactivity of two W 2 Ru 4 Clusters with a µ 4 -? 2 -CO Ligand, Organometallics, vol.12, pp.4061-4066, 1993.

K. Yamada and N. Koga, Variationally Determined Electronic States for the Theoretical Analysis of Intramolecular Interaction. II. Qualitative Nature of the P-O Bond in Phosphine Oxides, J. Comput. Chem, vol.34, pp.149-161, 2013.

D. B. Chesnut and A. Savin, The Electron Localization Function (ELF) Description of the PO Bond in Phosphine Oxide, J. Am. Chem. Soc, vol.121, pp.2335-2336, 1999.

D. G. Gilheany, The Chemistry of Organophosphorus Compounds

J. Wiley and S. Ltd, , vol.2, 1992.

D. G. Gilheany, No d-Orbitals but Walsh Diagrams and Maybe Banana Bonds: Chemical Bonding in Phosphines, Phosphine Oxides, and Phosphonium Ylides, Chem. Rev, vol.94, pp.1339-1374, 1994.

K. A. Lyssenko, G. V. Grintselev-knyazev, and M. Y. Antipin, Nature of the P-O bond in Diphenylphosphonic Acid: Experimental Charge Density and Electron Localization Function Analysis, Mendeleev Communications, vol.12, pp.128-130, 2002.

B. Gamoke, D. Neff, and J. Simons, Nature of PO Bonds in Phosphates, J. Phys. Chem. A, vol.113, pp.5677-5684, 2009.

A. E. Reed, . Von-ragué, and P. Schleyer, Chemical Bonding in Hypervalent Molecules -The Dominance of Ionic Bonding and Negative Hyperconjugation over d-Orbital Participation, J. Am. Chem. Soc, vol.112, pp.1434-1445, 1990.

J. E. Huheey, E. A. Keiter, and R. L. Keiter, Inorganic Chemistry, pp.869-870, 1993.

M. D. Carducci, M. R. Pressprich, and P. Coppens, Diffraction Studies of Photoexcited Crystals: Metastable Nitrosyl-Linkage Isomers of Sodium Nitroprusside, J. Am. Chem. Soc, vol.119, pp.2669-2678, 1997.

P. Coppens, D. V. Fomitchev, M. D. Carducci, and K. Culp, Crystallography of Molecular Excited States. Transition-Metal Nitrosyl Complexes and the Study of Transient Species, J. Chem. Soc, Dalton Trans, vol.6, pp.865-872, 1998.

D. V. Fomitchev and I. Novozhilova, Coppens, P. Photo-Induced Linkage Isomerism of Transition Metal Nitrosyl and Dinitrogen Complexes Studied by Photocrystallographic Techniques, Tetrahedron, vol.56, pp.6813-6820, 2000.

D. A. Johnson and K. A. Pashman, Low-Temperature Transients in Solid-State Photochemical Linkage Isomerization of [Co(NH 3 ) 5 NO 2 ]Cl 2 . Inorg, Nucl. Chem. Lett, vol.11, pp.23-28, 1975.

H. Yersin and D. Donges, Low-Lying Electronic States and Photophysical Properties of Organometallic Pd(II) and Pt(II) Compounds

, Modern Research Trends Presented in Detailed Case Studies, Top. Curr. Chem, vol.214, pp.81-186, 2001.

F. Alary, J. Heully, L. Bijeire, and P. Vicendo, Is the 3 MLCT the Only Photoreactive State of Polypyridyl Complexes?, Inorg. Chem, vol.46, pp.3154-3165, 2007.
URL : https://hal.archives-ouvertes.fr/hal-00941075

F. Alary, M. Boggio-pasqua, J. Heully, C. Marsden, and P. Vicendo, Theoretical Characterization of the Lowest Triplet Excited States of the Tris-(1,4,5,8-tetraazaphenanthrene) Ruthenium Dication Complex, Inorg. Chem, vol.47, pp.5259-5266, 2008.
URL : https://hal.archives-ouvertes.fr/hal-00838539

J. Ern, M. Petermann, T. Mrozek, J. Daub, K. Kuldova et al., Dihydroazulene/Vinylheptafulvene Photochromism: Dynamics of the Photochemical Ring-Opening Reaction, Chem. Phys, vol.259, pp.331-337, 2000.

V. Dieckmann, S. Eicke, J. J. Rack, T. Woike, and M. Imlau, + Solutions Based on Two Photoinduced Linkage Isomers, Opt. Express, vol.17, pp.15052-15060, 2009.