Selected List of Scientific Publications

of S. J. Formosinho in Chemistry

Intersecting-State Model Calculations on Fast and Ultrafast Excited-State Proton Transfers in Naphthols and Substituted Naphthols.

Mónica Barroso, L. G. Arnaut, S. J. Formosinho, J. Photochem. Photobiol., A: Chem., in publication.

Semi-Empirical Calculations of Atom and Proton Transfer Reactions. I. Transition-State Structures and Energies

L. G. Arnaut, Alberto A. C. C. Pais, S. J. Formosinho, J. Chem. Phys., submitted for publication.

Semi-Empirical Calculations of Atom and Proton Transfer Reactions. II. Rate Constants for Atom+Diatomic and Atom+Polyatomic Molecule.

L. G. Arnaut, Alberto A. C. C. Pais, S. J. Formosinho, J. Chem. Phys., submitted for publication.

Benzil Fluorescence and Phosphorescence Emission: a Pertinent Probe for the Kinematic Behaviour and Microheterogeneity of Supercritical CO₂.

N. Chattopadhyay, C. S. Soares, M. I. Silva, L. G. Arnaut, S. J. Formosinho, Chem. Phys. Letters, 347, 361-365 (2001).

The Intersecting-State Model: a Link between Molecular Spectroscopy and Chemical Reactivity.

L. G. Arnaut, A. A. C. C. Pais, S. J. Formosinho, J. Mol. Struct., 563/564, 1-17 (2001).

Energetics of Photocyclization of Polyphenylamines and Assignment of the Intermediate: A Time-resolved Photoacoustic Calorimetry Study.

N. Chattopadhyay, C. Serpa Soares, L. G. Arnaut, S. J. Formosinho, Phys. Chem. Chem. Phys., 3, 3690-3695 (2001).

Singlet-Oxygen Quantum Yields of Halogenated Chlorins. Potential New Photodynamic Therapy Agents.

M. Pineiro, M. M. Pereira, A. M .d.A. Rocha Gonsalves, L. G. Arnaut, S. J. Formosinho, J. Photochem. Photobiol., A: Chem., 138, 147-157 (2001).

Photocyclization of Triphenylamine: an Investigation through Time-resolved Photoacoustic calorimetry.

N. Chattopadhyay, C. Serpa Soares, L. G. Arnaut, P. Purkayasstha, S. J. Formosinho, Phys. Chem. Chem. Phys., 3, 70-73 (2001).

Theory of Electron Transfer Reactions in Blue-Copper Proteins.

S. J. Formosinho, L. G. Arnaut, Res. Chem. Interm., 27, 103-124 (2001).

Photoacoustic Measurements of Porphyrin Triplet State Quantum Yields and Singlet Oxygen Efficiencies.

M. Pineiro, A. L. Carvalho, M. M. Pereira, A. M. d.A. Rocha Gonsalves, L. G. Arnaut, S.J. Formosinho, Chem. Eur. J., 4, 2299-2307 (1998).

Modelling Intramolecular Electron Transfer Reactions in Cytochromes and in Photosynthetic Bacteria Reaction Centres.

S. J. Formosinho, L. G. Arnaut, J. Photochem. Photobiol. A: Chem. , 118, 173-181 (1998).

H-atom Abstractions: Activation energies, bond lengths and bond-orders.

A.A.C.C. Pais, L.G. Arnaut, S.J. Formosinho, J. Chem. Soc. Perkin II, 2577-2584 (1998).

A Critical Assessment of Classical and Semi-classical Models for Electron Transfer Reactions in Solution.

S. J. Formosinho, L.G. Arnaut, R. Fausto, Prog. React. Kinetics, 23, 1-90  (1998).

Theory of Electron Transfer Reactions in Photosynthetic Bacteria Reaction Centers.

L.G. Arnaut, S.J. Formosinho, J. Photochem. Photobiol. A: Chem., 111, 111-139 (1997).

Theoretical Studies of Intramolecular Electron Transfer Reactions: Distance and Free Energy Dependences.

L.G. Arnaut, S.J. Formosinho, J. Photochem. Photobiol. A: Chem. 100, 15-34 (1996).

Some New Perspectives on Electron Transfer Reactions through the Intersecting-state Model.

S.J. Formosinho, L.G. Arnaut, J. Photochem. Photobiol. A: Chem. 82, 11-29 (1994).

Quantum Mechanical Valence Study of Bond-Breaking–Bond-Forming Processes in Triatomic Systems.

R.F. Nalewajski, S.J. Formosinho, A.J.C. Varandas, J. Mrozek, Int. J. Quantum Chem. 52, 1153-1176 (1994).

Mechanism and Kinetics of the Photocatalyzed Oxidation of p-Phenylenedi-amines by Peroxydisulfate in the Presence of Tri-2,2'-bipyridylruthenium (II).

U. Nickel, Y.-H. Chen, S. Schneider, M.I. Silva, H.D. Burrows, S.J. Formosinho, J. Phys. Chem. 98, 2883-2888 (1994).

Excited-state Proton Transfer Reactions. II. Intramolecular Reactions.

S.J. Formosinho, L.G. Arnaut, J. Photochem. Photobiol. A: Chem. 75, 21-48 (1993).

Excited-state Proton Transfer Reactions. I. Fundamentals and Intermolecular Reactions.

L.G. Arnaut, S.J. Formosinho, J. Photochem. Photobiol. A: Chem. 75, 1-20 (1993).

The Photochemical Reaction between Uranyl Nitrate and Azulene.

H.D. Burrows, A.C. Cardoso, S.J. Formosinho, A.M.P.C. Gil, M.G.M. Miguel, B. Barata, J.J.G. Moura, J. Photochem. Photobiol. A: Chem.  68, 279-287 (1992).

Understanding Chemical Reactivity through the Intersecting State Model.

S.J. Formosinho, in Theoretical and Computational Models for Organic Chemistry, S.J. Formosinho, I.G. Csizmadia, L.G. Arnaut (Eds.), NATO ASI Series, Kluwer, Dordrecht, vol. 339, 1991, pag. 159-205.

A Unified View of Ketone Photochemistry.

S.J. Formosinho, L.G. Arnaut, Adv. Photochem. 16, 67-117 (1991).

On the Uranyl Luminescence in Aqueous Solution.

M.E.D.G. Azenha, H.D. Burrows, S.J. Formosinho, M.G.M. Miguel, A. P. Daramanyan, I.V. Khudyakov, J. Lumin.  48 & 49, 522-526 (1991).

Brönsted Coefficients and the Theory of Acid-base Catalysis of Proton Transfer from Carbon Acids.

L.G. Arnaut, S.J. Formosinho, J. Phys. Org. Chem. 3, 95-109 (1990).

The Role of Reaction Energy and Transition State Bond Order on the Reactivity of Ambifunctional Compounds.

S.J. Formosinho, L.G. Arnaut, J. Chem. Soc. Perkin Trans.2 1947-1952 (1989).

Electron Transfer Reactions in Coordination Metal Complexes. Structure Reactivity Relationships.

S.J. Formosinho, Pure Appl. Chem. 61, 891-896 (1989).

The Coordination Behaviour of Dioxouranium(VI) Nitrate in Water/Acetone Mixtures.

M.E.D.G. Azenha, H.D. Burrows, S.J. Formosinho, M.L.P. Leitão, M.G.M. Miguel, J. Chem. Soc. Dalton Trans. 2893-2895 (1988).

Excited State Proton-transfer Kinetics: a Theoretical Model.

L.G. Arnaut, S.J. Formosinho, J. Phys. Chem. 92, 685-691 (1988).

Reactivity and Selectivity. An Intersecting-state View.

S.J. Formosinho, J. Chem. Soc. Perkin Trans.2 839-846 (1988).

The Role of Transition State Bond Order and Reaction Energy in Methyl  Nucleophilic Substitutions.

S.J. Formosinho, Tetrahedron 43, 1109-1116 (1987).

Photocycloaddition of Ketones to Olefins as Radiationless Transitions.

L.G. Arnaut, S.J. Formosinho, J. Photochem. 39, 13-31 (1987).

Theoretical Studies on Proton Transfer Reactions.

S.J. Formosinho, J. Chem. Soc. Perkin Trans.2 61-66 (1987).

Radiationless Transitions and Photochemical Reactivity.

S.J. Formosinho, Pure Appl Chem. 58, 1173-1178 (1986).

The Effect of Transition State Bond Order on Sigmatropic Shifts and Cycloaddition Reactions.

S.J. Formosinho, Tetrahedron 42, 4557-4562 (1986).

A General Inter-relationship between Transition State Bond Extensions and the Energy Barrier to Reaction.

A.J.C. Varandas, S.J. Formosinho, J. Chem. Soc. Faraday Trans.2 82, 953-962 (1986).

Photophysics of the Excited Uranyl Ion in Aqueous Solutions. Part 4 - Quenching by Metal Ions.

H.D. Burrows, A.C. Cardoso, S.J. Formosinho, M.G.M. Miguel, J. Chem. Soc. Faraday Trans.1 81, 49-60 (1985).

Intersystem Crossing in Hexafluorobenzene and Benzene Vapours. The Role of Local Modes on the Nonstatistical Behaviour of Benzene.

S.J. Formosinho, A.M. da Silva, Portgal. Phys. 15, 205-216 (1984).

Structure-Efficiency Relationships in Hydrogen Photoabstraction Reactions by Ketones. Thermal Activation versus Nuclear Tunnelling.

L.G. Arnaut, S.J. Formosinho, A.M. da Silva, J. Photochem. 27, 185-203 (1984).

Photophysics of the Excited Uranyl Ion in Aqueous Solutions. Part 2 - Acidity Effects between pH 0.5 and 4.

M.G.M. Miguel, S.J. Formosinho, A.C. Cardoso, H.D. Burrows, J. Chem. Soc. Faraday Trans.1 80, 1735-1744 (1984).

Photophysics of the Excited Uranyl Ion in Aqueous Solutions. Part 1 - Reversible Crossing.

S.J. Formosinho, M.G.M. Miguel, H.D. Burrows, J. Chem. Soc. Faraday Trans.1 80, 1717-1733 (1984).

Halide Induced Quenching and Enhancement of the Fluorescence of Fluoranthene Solubilized in Cetyltrimethylammonium Bromide Micelles.

H.D. Burrows, S.J. Formosinho, M.F.J.R. Paiva, E.J. Rasburn, J. Chem. Soc. Faraday Trans.1 76, 685-692 (1980).

The Bromide Ion Quenching of Micellized Hydrocarbon Fluorescence. A Search for Effects of Emiter Lifetime on the Quenching Behaviour.

H.D. Burrows, S.J. Formosinho, M.F.J.R. Paiva, J. Photochem. 12, 285-292 (1980).

Markov Chains for Plotting the Course of Complex Reactions.

S.J. Formosinho, M.G.M. Miguel, J. Chem. Educ. 56, 582-585 (1979).

Photochemical Hydrogen Abstractions as Radiationless Transitions. Part 4 – Substituent Effects on Hydrogen Photoabstraction Reactions by Ketones.

S.J. Formosinho, J. Chem. Soc. Faraday Trans.2 74, 1978-1991 (1978).

Photochemical Hydrogen Abstractions as Radiationless Transitions. Part 3 – Theoretical Analysis of Hydrogen Abstraction by Excited Uranyl (UO₂²⁺) Ion.

H.D. Burrows, S.J. Formosinho, J. Chem. Soc. Faraday Trans.2 73, 201-208 (1977).

Photochemical Hydrogen Abstractions as Radiationless Transitions.

Part1. Ketones,Aldehydes and Acids.

S.J. Formosinho, J. Chem. Soc. Faraday Trans.2 72, 1313-1331 (1976).

Radiationless Processes in Aromatic Excimers and Exciplexes.

S.J. Formosinho, Mol. Photochem. 7, 41-73 (1976).

Quenching of Aromatic Molecules by Paramagnetic Species.

S.J. Formosinho, Mol. Photochem. 7, 13-39 (1976).

The Quenching of Uranyl Ion (UO₂²⁺) Excited State by Metal Ions: Evidence for an Electron Transfer Mechanism.

H.D. Burrows, S.J. Formosinho, M.G.M. Miguel, F. Pinto-Coelho, J. Chem. Soc. Faraday Trans.1 72, 163-171 (1976).

Decay of the Triplet State in Aromatic Vapours.

C.W. Ashpole, S.J. Formosinho, M.A. West, J. Chem. Soc. Faraday Trans.2 71, 615-621 (1975).

On the Nature of the Non-radiative Channels in Benzene.

S.J. Formosinho, J. Dias da Silva, Mol. Photochem. 6, 409-424 (1974).

Triplet-triplet Absorption Spectra of Aromatic Vapours.

C.W. Ashpole, S.J. Formosinho, J. Mol. Spectr. 53, 489-492 (1974).

Quantum Mechanical Tunnelling in Radiationless Transitions of Large Molecules.

S.J. Formosinho, J. Chem. Soc. Faraday Trans. 2 70, 605-620 (1974).

Pressure Dependence of Naphthalene Fluorescence.

G.S. Beddard, S.J. Formosinho, G. Porter, Chem. Phys. Lett. 22, 235-238 (1973).

Vibrational Relaxation in the Triplet State.

S.J. Formosinho, G. Porter, M.A. West, Proc. Roy. Soc. (London) A333, 289-296  (1973).

Pressure Dependence of Intersystem Crossing in Aromatic Vapours.

C.W. Ashpole, S.J. Formosinho, G. Porter, Proc. Roy. Soc. (London) A323, 11-28 (1971).

Molecular Orbital Calculations of Substituent Effects on Geminal Coupling Constants.

V.M.S. Gil, S.J.S. Formosinho Simões, Mol. Phys. 15, 639-643 (1968).