@article{KunnusJosefssonRajkovicetal.2016, author = {Kunnus, Kristjan and Josefsson, I. and Rajkovic, Ivan and Schreck, Simon and Quevedo, Wilson and Beye, Martin and Weniger, C. and Gruebel, S. and Scholz, M. and Nordlund, D. and Zhang, W. and Hartsock, R. W. and Gaffney, K. J. and Schlotter, W. F. and Turner, J. J. and Kennedy, B. and Hennies, F. and de Groot, F. M. F. and Techert, S. and Odelius, Michael and Wernet, Ph. and F{\"o}hlisch, Alexander}, title = {Identification of the dominant photochemical pathways and mechanistic insights to the ultrafast ligand exchange of Fe(CO)(5) to Fe(CO)(4)EtOH}, series = {Structural dynamics}, volume = {3}, journal = {Structural dynamics}, publisher = {American Institute of Physics}, address = {Washington}, issn = {2329-7778}, doi = {10.1063/1.4941602}, pages = {16}, year = {2016}, abstract = {We utilized femtosecond time-resolved resonant inelastic X-ray scattering and ab initio theory to study the transient electronic structure and the photoinduced molecular dynamics of a model metal carbonyl photocatalyst Fe(CO)(5) in ethanol solution. We propose mechanistic explanation for the parallel ultrafast intra-molecular spin crossover and ligation of the Fe(CO)(4) which are observed following a charge transfer photoexcitation of Fe(CO)(5) as reported in our previous study [ Wernet et al., Nature 520, 78 (2015)]. We find that branching of the reaction pathway likely happens in the (1)A(1) state of Fe(CO)(4). A sub-picosecond time constant of the spin crossover from B-1(2) to B-3(2) is rationalized by the proposed B-1(2) -> (1)A(1) -> B-3(2) mechanism. Ultrafast ligation of the B-1(2) Fe(CO)(4) state is significantly faster than the spin-forbidden and diffusion limited ligation process occurring from the B-3(2) Fe(CO)(4) ground state that has been observed in the previous studies. We propose that the ultrafast ligation occurs via B-1(2) -> (1)A(1) -> (1)A'Fe(CO)(4)EtOH pathway and the time scale of the (1)A(1) Fe(CO)(4) state ligation is governed by the solute-solvent collision frequency. Our study emphasizes the importance of understanding the interaction of molecular excited states with the surrounding environment to explain the relaxation pathways of photoexcited metal carbonyls in solution. (C) 2016 Author(s).}, language = {en} } @article{DeAngelisTatischeffGrenieretal.2018, author = {De Angelis, A. and Tatischeff, V. and Grenier, I. A. and McEnery, J. and Mallamaci, Manuela and Tavani, M. and Oberlack, U. and Hanlon, L. and Walter, R. and Argan, A. and Von Ballmoos, P. and Bulgarelli, A. and Bykov, A. and Hernanz, M. and Kanbach, G. and Kuvvetli, I. and Pearce, M. and Zdziarski, A. and Conrad, J. and Ghisellini, G. and Harding, A. and Isern, J. and Leising, M. and Longo, F. and Madejski, G. and Martinez, M. and Mazziotta, Mario Nicola and Paredes, J. M. and Pohl, Martin and Rando, R. and Razzano, M. and Aboudan, A. and Ackermann, M. and Addazi, A. and Ajello, M. and Albertus, C. and Alvarez, J. M. and Ambrosi, G. and Anton, S. and Antonelli, L. A. and Babic, A. and Baibussinov, B. and Balbom, M. and Baldini, L. and Balman, S. and Bambi, C. and Barres de Almeida, U. and Barrio, J. 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H. and Hayashida, M. and Hryczuk, A. and Jean, P. and Johnson, T. and Jose, J. and Kaufmann, S. and Khelifi, B. and Kiener, J. and Knodlseder, J. and Kolem, M. and Kopp, J. and Kozhuharov, V. and Labanti, C. and Lalkovski, S. and Laurent, P. and Limousin, O. and Linares, M. and Lindfors, E. and Lindner, M. and Liu, J. and Lombardi, S. and Loparco, F. and Lopez-Coto, R. and Lopez Moya, M. and Lott, B. and Lubrano, P. and Malyshev, D. and Mankuzhiyil, N. and Mannheim, K. and Marcha, M. J. and Marciano, A. and Marcote, B. and Mariotti, M. and Marisaldi, M. and McBreen, S. and Mereghetti, S. and Merle, A. and Mignani, R. and Minervini, G. and Moiseev, A. and Morselli, A. and Moura, F. and Nakazawa, K. and Nava, L. and Nieto, D. and Orienti, M. and Orio, M. and Orlando, E. and Orleanski, P. and Paiano, S. and Paoletti, R. and Papitto, A. and Pasquato, M. and Patricelli, B. and Perez-Garcia, M. A. and Persic, M. and Piano, G. and Pichel, A. and Pimenta, M. and Pittori, C. and Porter, T. and Poutanen, J. and Prandini, E. and Prantzos, N. and Produit, N. and Profumo, S. and Queiroz, F. S. and Raino, S. and Raklev, A. and Regis, M. and Reichardt, I. and Rephaeli, Y. and Rico, J. and Rodejohann, W. and Fernandez, G. Rodriguez and Roncadelli, M. and Roso, L. and Rovero, A. and Ruffini, R. and Sala, G. and Sanchez-Conde, M. A. and Santangelo, A. and Parkinson, P. Saz and Sbarrato, T. and Shearer, A. and Shellard, R. and Short, K. and Siegert, T. and Siqueira, C. and Spinelli, P. and Stamerra, A. and Starrfield, S. and Strong, A. and Strumke, I. and Tavecchio, F. and Taverna, R. and Terzic, T. and Thompson, D. J. and Tibolla, O. and Torres, D. F. and Turolla, R. and Ulyanov, A. and Ursi, A. and Vacchi, A. and Van den Abeele, J. and Vankova-Kirilovai, G. and Venter, C. and Verrecchia, F. and Vincent, P. and Wang, X. and Weniger, C. and Wu, X. and Zaharijas, G. and Zampieri, L. and Zane, S. and Zimmer, S. and Zoglauer, A.}, title = {Science with e-ASTROGAM A space mission for MeV-GeV gamma-ray astrophysics}, series = {Journal of High Energy Astrophysics}, volume = {19}, journal = {Journal of High Energy Astrophysics}, publisher = {Elsevier}, address = {Amsterdam}, organization = {e-ASTROGAM Collaboration}, issn = {2214-4048}, doi = {10.1016/j.jheap.2018.07.001}, pages = {1 -- 106}, year = {2018}, language = {en} }