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  • 1.
    Afewerki, Samson
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). Mid Sweden University, Sweden.
    Córdova, Armando
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). Mid Sweden University, Sweden.
    Combinations of Aminocatalysts and Metal Catalysts: A Powerful Cooperative Approach in Selective Organic Synthesis2016In: Chemical Reviews, ISSN 0009-2665, E-ISSN 1520-6890, Vol. 116, no 22, p. 13512-13570Article, review/survey (Refereed)
    Abstract [en]

    The cooperation and interplay between organic and metal catalyst Arninocatalysis systems is of utmost importance in nature and chemical synthesis. Here innovative and selective cooperative catalyst systems can be designed by combining two catalysts that complement rather than inhibit one another. This refined strategy can permit chemical transformations unmanageable by either of the catalysts alone. This review summarizes innovations and developments in selective organic synthesis that have used cooperative dual catalysis by combining simple aminocatalysts with metal catalysts. Considerable efforts have been devoted to this fruitful field. This emerging area employs the different activation modes of amine and metal catalysts as a platform to address challenging reactions. Here, aminocatalysis (e.g., enamine activation catalysis, iminium activation catalysis, single occupied molecular orbital (SOMO) activation catalysis, and photoredox activation catalysis) is employed to activate unreactive carbonyl substrates. The transition metal catalyst complements by activating a variety of substrates through a range of interactions (e.g., electrophilic pi-allyl complex formation, Lewis acid activation, allenylidene complex formation, photoredox activation, C-H activation, etc.), and thereby novel concepts within catalysis are created. The inclusion of heterogeneous catalysis strategies allows for green chemistry development, catalyst recyclability, and the more eco-friendly synthesis of valuable compounds.

  • 2.
    Amann-Winkel, Katrin
    et al.
    Stockholm University, Faculty of Science, Department of Physics.
    Bellissent-Funel, Marie-Claire
    Bove, Livia E.
    Loerting, Thomas
    Nilsson, Anders
    Stockholm University, Faculty of Science, Department of Physics.
    Paciaroni, Alessandro
    Schlesinger, Daniel
    Stockholm University, Faculty of Science, Department of Physics.
    Skinner, Lawrie
    X-ray and Neutron Scattering of Water2016In: Chemical Reviews, ISSN 0009-2665, E-ISSN 1520-6890, Vol. 116, no 13, p. 7570-7589Article, review/survey (Refereed)
    Abstract [en]

    This review article focuses on the most recent advances in X-ray and neutron scattering studies of water structure, from ambient temperature to the deeply supercooled and amorphous states, and of water diffusive and collective dynamics, in disparate thermodynamic conditions and environments. In particular, the ability to measure X-ray and neutron diffraction of water with unprecedented high accuracy in an extended range of momentum transfers has allowed the derivation of detailed O-O pair correlation functions. A panorama of the diffusive dynamics of water in a wide range of temperatures (from 400 K down to supercooled water) and pressures (from ambient up to multiple gigapascals) is presented. The recent results obtained by quasi-elastic neutron scattering under high pressure are compared with the existing data from nuclear magnetic resonance, dielectric and infrared measurements, and modeling. A detailed description of the vibrational dynamics of water as measured by inelastic neutron scattering is presented. The dependence of the water vibrational density of states on temperature and pressure, and in the presence of biological molecules, is discussed. Results about the collective dynamics of water and its dispersion curves as measured by coherent inelastic neutron scattering and inelastic X-ray scattering in different thermodynamic conditions are reported.

  • 3. Bianchi, Federico
    et al.
    Kurtén, Theo
    Riva, Matthieu
    Mohr, Claudia
    Stockholm University, Faculty of Science, Department of Environmental Science and Analytical Chemistry.
    Rissanen, Matti P.
    Roldin, Pontus
    Berndt, Torsten
    Crounse, John D.
    Wennberg, Paul O.
    Mentel, Thomas F.
    Wildt, Jürgen
    Junninen, Heikki
    Jokinen, Tuija
    Kulmala, Markku
    Worsnop, Douglas R.
    Thornton, Joel A.
    Donahue, Neil
    Kjaergaard, Henrik G.
    Ehn, Mikael
    Highly Oxygenated Organic Molecules (HOM) from Gas-Phase Autoxidation Involving Peroxy Radicals: A Key Contributor to Atmospheric Aerosol2019In: Chemical Reviews, ISSN 0009-2665, E-ISSN 1520-6890, Vol. 119, no 6, p. 3472-3509Article, review/survey (Refereed)
    Abstract [en]

    Highly oxygenated organic molecules (HOM) are formed in the atmosphere via autoxidation involving peroxy radicals arising from volatile organic compounds (VOC). HOM condense on pre-existing particles and can be involved in new particle formation. HOM thus contribute to the formation of secondary organic aerosol (SOA), a significant and ubiquitous component of atmospheric aerosol known to affect the Earths radiation balance. HOM were discovered only very recently, but the interest in these compounds has grown rapidly. In this Review, we define HOM and describe the currently available techniques for their identification/quantification, followed by a summary of the current knowledge on their formation mechanisms and physicochemical properties. A main aim is to provide a common frame for the currently quite fragmented literature on HOM studies. Finally, we highlight the existing gaps in our understanding and suggest directions for future HOM research.

  • 4. Bilde, Merete
    et al.
    Barsanti, Kelley
    Booth, Murray
    Cappa, Christopher D.
    Donahue, Neil M.
    Emanuelsson, Eva U.
    McFiggans, Gordon
    Krieger, Ulrich K.
    Marcolli, Claudia
    Tropping, David
    Ziemann, Paul
    Barley, Mark
    Clegg, Simon
    Dennis-Smither, Benjamin
    Hallquist, Mattias
    Hallquist, Asa M.
    Khlystov, Andrey
    Kulmala, Markku
    Mogensen, Ditte
    Percival, Carl J.
    Pope, Francis
    Reid, Jonathan P.
    da Silva, M. A. V. Ribeiro
    Rosenoern, Thomas
    Salo, Kent
    Soonsin, Vacharapom Pia
    Yli-Juuti, Taina
    Prisle, Nonne L.
    Pagels, Joakim
    Rarey, Juergen
    Zardini, Alessandro A.
    Riipinen, Ilona
    Stockholm University, Faculty of Science, Department of Environmental Science and Analytical Chemistry.
    Saturation Vapor Pressures and Transition Enthalpies of Low-Volatility Organic Molecules of Atmospheric Relevance: From Dicarboxylic Acids to Complex Mixtures2015In: Chemical Reviews, ISSN 0009-2665, E-ISSN 1520-6890, Vol. 115, no 10, p. 4115-4156Article, review/survey (Refereed)
  • 5.
    Blomberg, Margareta R. A.
    et al.
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Borowski, Tomasz
    Himo, Fahmi
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Liao, Rong-Zhen
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Siegbahn, Per E. M.
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Quantum Chemical Studies of Mechanisms for Metalloenzymes2014In: Chemical Reviews, ISSN 0009-2665, E-ISSN 1520-6890, Vol. 114, no 7, p. 3601-3658Article, review/survey (Refereed)
  • 6. Cisneros, Gerardo Andres
    et al.
    Wikfeldt, Kjartan Thor
    Stockholm University, Faculty of Science, Department of Physics. University of Iceland, Iceland.
    Ojamäe, Lars
    Lu, Jibao
    Xu, Yao
    Torabifard, Hedieh
    Bartok, Albert P.
    Csanyi, Gabor
    Molinero, Valeria
    Paesani, Francesco
    Modeling Molecular Interactions in Water: From Pairwise to Many Body Potential Energy Functions2016In: Chemical Reviews, ISSN 0009-2665, E-ISSN 1520-6890, Vol. 116, no 13, p. 7501-7528Article, review/survey (Refereed)
    Abstract [en]

    Almost 50 years have passed from the first computer simulations of water, and a large number of molecular models have been proposed since then to elucidate the unique behavior of water across different phases. In this article, we review the recent progress in the development of analytical potential energy functions that aim at correctly representing many-body effects. Starting from the many-body expansion of the interaction energy, specific focus is on different classes of potential energy functions built upon a hierarchy of approximations and on their ability to accurately reproduce reference data obtained from state-of-the-art electronic structure calculations and experimental measurements. We show that most recent potential energy functions, which include explicit short-range representations of two-body and three-body effects along with a physically correct description of many-body effects at all distances, predict the properties of water from the gas to the condensed phase with unprecedented accuracy, thus opening the door to the long-sought universal model capable of describing the behavior of water under different conditions and in different environments.

  • 7. Fransson, Thomas
    et al.
    Harada, Yoshihisa
    Kosugi, Nobuhiro
    Besley, Nicholas A.
    Winter, Bernd
    Rehr, John J.
    Pettersson, Lars G. M.
    Stockholm University, Faculty of Science, Department of Physics.
    Nilsson, Anders
    Stockholm University, Faculty of Science, Department of Physics.
    X-ray and Electron Spectroscopy of Water2016In: Chemical Reviews, ISSN 0009-2665, E-ISSN 1520-6890, Vol. 116, no 13, p. 7551-7569Article, review/survey (Refereed)
    Abstract [en]

    Here we present an overview of recent developments of X-ray and electron spectroscopy to probe water at different temperatures. Photon-induced ionization followed by detection of electrons from either the 0 is level or the valence band is the basis of photoelectron spectroscopy. Excitation between the 0 is and the unoccupied states or occupied states is utilized in X-ray absorption and X-ray emission spectroscopies. These techniques probe the electronic structure of the liquid phase and show sensitivity to the local hydrogen-bonding structure. Both experimental aspects related to the measurements and theoretical simulations to assist in the interpretation are discussed in detail. Different model systems are presented such as the different bulk phases of ice and various adsorbed monolayer structures on metal surfaces.

  • 8. Gallo, Paola
    et al.
    Arnann-Winkel, Katrin
    Stockholm University, Faculty of Science, Department of Physics.
    Angell, Charles Austen
    Anisimov, Mikhail Alexeevich
    Caupin, Frederic
    Chakravarty, Charusita
    Lascaris, Erik
    Loerting, Thomas
    Panagiotopoulos, Athanassios Zois
    Russo, John
    Sellberg, Jonas Alexander
    Stanley, Harry Eugene
    Tanaka, Hajime
    Vega, Carlos
    Xu, Limei
    Pettersson, Lars Gunnar Moody
    Stockholm University, Faculty of Science, Department of Physics.
    Water: A Tale of Two Liquids2016In: Chemical Reviews, ISSN 0009-2665, E-ISSN 1520-6890, Vol. 116, no 13, p. 7463-7500Article, review/survey (Refereed)
    Abstract [en]

    Water is the most abundant liquid on earth and also the substance with the largest number of anomalies in its properties. It is a prerequisite for life and as such a most important subject of current research in chemical physics and physical chemistry. In spite of its simplicity as a liquid, it has an enormously rich phase diagram where different types of ices, amorphous phases, and anomalies disclose a path that points to unique thermodynamics of its supercooled liquid state that still hides many unraveled secrets. In this review we describe the behavior of water in the regime from ambient conditions to the deeply supercooled region. The review describes simulations and experiments on this anomalous liquid. Several scenarios have been proposed to explain the anomalous properties that become strongly enhanced in the supercooled region. Among those, the second critical-point scenario has been investigated extensively, and at present most experimental evidence point to this scenario. Starting from very low temperatures, a coexistence line between a high-density amorphous phase and a low-density amorphous phase would continue in a coexistence line between a high-density and a low-density liquid phase terminating in a liquid liquid critical point, LLCP. On approaching this LLCP from the one-phase region, a crossover in thermodynamics and dynamics can be found. This is discussed based on a picture of a temperature-dependent balance between a high-density liquid and a low-density liquid favored by, respectively, entropy and enthalpy, leading to a consistent picture of the thermodynamics of bulk water. Ice nucleation is also discussed, since this is what severely impedes experimental investigation of the vicinity of the proposed LLCP. Experimental investigation of stretched water, i.e., water at negative pressure, gives access to a different regime of the complex water diagram. Different ways to inhibit crystallization through confinement and aqueous solutions are discussed through results from experiments and simulations using the most sophisticated and advanced techniques. These findings represent tiles of a global picture that still needs to be completed. Some of the possible experimental lines of research that are essential to complete this picture are explored.

  • 9.
    Geppert, Wolf D.
    et al.
    Stockholm University, Faculty of Science, Department of Physics.
    Larsson, Mats
    Stockholm University, Faculty of Science, Department of Physics.
    Experimental Investigations into Astrophysically Relevant Ionic Reactions2013In: Chemical Reviews, ISSN 0009-2665, E-ISSN 1520-6890, Vol. 113, no 12, p. 8872-8905Article, review/survey (Refereed)
  • 10. Janosik, Tomasz
    et al.
    Rannug, Agneta
    Rannug, Ulf
    Stockholm University, Faculty of Science, Department of Molecular Biosciences, The Wenner-Gren Institute.
    Wahlström, Niklas
    Slätt, Johnny
    Bergman, Jan
    Chemistry and Properties of Indolocarbazoles2018In: Chemical Reviews, ISSN 0009-2665, E-ISSN 1520-6890, Vol. 118, no 18, p. 9058-9128Article, review/survey (Refereed)
    Abstract [en]

    The indolocarbazoles are an important class of nitrogen heterocycles which has evolved significantly in recent years, with numerous studies focusing on their diverse biological effects, or targeting new materials with potential applications in organic electronics. This review aims at providing a broad survey of the chemistry and properties of indolocarbazoles from an interdisciplinary point of view, with particular emphasis on practical synthetic aspects, as well as certain topics which have not been previously accounted for in detail, such as the occurrence, formation, biological activities, and metabolism of indolo[3,2-b]carbazoles. The literature of the past decade forms the basis of the text, which is further supplemented with older key references.

  • 11.
    Kärkäs, Markus D.
    et al.
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Verho, Oscar
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Johnston, Eric V.
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Åkermark, Björn
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Artificial Photosynthesis: Molecular Systems for Catalytic Water Oxidation2014In: Chemical Reviews, ISSN 0009-2665, E-ISSN 1520-6890, Vol. 114, no 24, p. 11863-12001Article, review/survey (Refereed)
  • 12.
    Selander, Nicklas
    et al.
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Szabó, Kálmán J.
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Catalysis by Palladium Pincer Complexes2011In: Chemical Reviews, ISSN 0009-2665, E-ISSN 1520-6890, Vol. 111, no 3, p. 2048-2076Article, review/survey (Refereed)
  • 13.
    Siegbahn, Per E. M.
    et al.
    Stockholm University, Faculty of Science, Department of Physics.
    Blomberg, Margareta R. A.
    Stockholm University, Faculty of Science, Department of Biochemistry and Biophysics.
    Quantum Chemical Studies of Proton-Coupled Electron Transfer in Metalloenzymes2010In: Chemical Reviews, ISSN 0009-2665, E-ISSN 1520-6890, Vol. 110, no 12, p. 7040-7061Article, review/survey (Refereed)
  • 14. Verendel, J. Johan
    et al.
    Pamies, Oscar
    Dieguez, Montserrat
    Andersson, Pher G.
    Stockholm University, Faculty of Science, Department of Organic Chemistry. Univ KwaZulu Natal, Sch Chem, Durban, South Africa.
    Asymmetric Hydrogenation of Olefins Using Chiral Crabtree-type Catalysts: Scope and Limitations2014In: Chemical Reviews, ISSN 0009-2665, E-ISSN 1520-6890, Vol. 114, no 4, p. 2130-2169Article, review/survey (Refereed)
1 - 14 of 14
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