Search results for "DEC"

2021

A nickel complex incorporating an N2 O ligand with a rare η2 -N,N'-coordination mode was isolated and characterized by X-ray crystallography, as well as by IR and solid-state NMR spectroscopy augmented by 15 N-labeling experiments. The isoelectronic nickel CO2 complex reported for comparison features a very similar solid-state structure. Computational studies revealed that η2 -N2 O binds to nickel slightly stronger than η2 -CO2 in this case, and comparably to or slightly stronger than η2 -CO2 to transition metals in general. Comparable transition-state energies for the formation of isomeric η2 -N,N'- and η2 -N,O-complexes, and a negligible activation barrier for the decomposition of the lat…

Versatile behavior of conjugated diynes with zirconocene reactive species

2008

Thermal decomposition of Cp2ZrPh2 in the presence of the buta-1,3-diynes RC≡CC≡CR (R = Ph, SiMe3) can lead to seven- or five-membered metallacycles. In both cases a stable benzo-fused seven-membered zirconacyclocumulene arising from a 2-fold insertion of the triple bonds of the dialkyne in the in situ generated zirconocene benzyne is formed. In the case of Me3SiC≡CC≡CSiMe3 a second minor complex is isolated: a 3-alkynyl-substituted zirconaindene arising from a β monoinsertion of one acetylenic function of the conjugated diyne in the zirconocene benzyne. No stable 2-alkynyl-substituted zirconacycle was isolated. This α monoinsertion complex is an intermediate in the exchange of the metalated…

Electron Accumulative Molecules.

2018

With the goal to produce molecules with high electron accepting capacity and low reorganization energy upon gaining one or more electrons, a synthesis procedure leading to the formation of a B–N(aromatic) bond in a cluster has been developed. The research was focused on the development of a molecular structure able to accept and release a specific number of electrons without decomposing or change in its structural arrangement. The synthetic procedure consists of a parallel decomposition reaction to generate a reactive electrophile and a synthesis reaction to generate the B–N(aromatic) bond. This procedure has paved the way to produce the metallacarboranylviologen [M(C2B9H11)(C2B9H10)-NC5H4-…

Recent studies on RR′S·C2B9H11 charge-compensated ligands

2002

Abstract In this paper we report the synthesis of three new carborane derivatives of the series 7,8-R,R′-10-L-7,8-C2B9H9 (R=R′=H, L=SEtPh; R=CH3, R′=H, L=SMe2 and L=SEt2) along with the enhanced characterization of formerly described compounds 7,8-R,R′-10-L-7,8-C2B9H9 (R=R′=H, L=SMe2 (1), L=SEt2 (2) and L=S(CH2)4 (3)). They have been fully characterised using 1H-, 11B- and 13C-NMR spectroscopy. Their bridging proton resonances have been located for the first time. Individual sulfonium substituent contributions have been calculated that have permitted to establish a rule to predict its position in the 1H-NMR spectrum. The crystal structures of 1 and 3 have been resolved for the first time. T…

Theoretical study on the decomposition mechanism of bisphenol A polycarbonate induced by the combined effect of humidity and UV irradiation.

2020

Polycarbonate (PC) is a good material for covering and protecting cultural heritage sites because of its durability, mechanical properties, and transparency. When bisphenol A polycarbonate is subjected to weathering conditions this polymer shows several degradation processes depending on the irradiation wavelength, humidity and temperature. In particular, the combined effects of humidity and UV irradiation speed up the PC molecular weight reduction. In this work, the decomposition mechanisms associated to the hydrolysis process are scrutinized and the effects of UV irradiation on the hydrolysis process are evaluated throughout the Density Functional Theory (DFT) approach. It was found that …

Beyond APAR and NPQ: Factors Coupling and Decoupling SIF and GPP Across Scales

2021

The connection between solar-induced fluorescence (SIF) and vegetation gross primary productivity is being widely investigated across spatial, temporal, and biological scales, including: a) studies at the leaf [1], [2], plant canopy [2]–[4] or satellite pixel scale [5], [6], b) temporally with studies spanning from diurnal [7] to seasonal scales [1], [3], [5], and b) biologically with studies covering various plant functional types (PFTs), e.g., crops [4], [7], deciduous [8] or evergreen forests [1], [3], in response to different sources of stress.

Developing an indicator-modelling approach to forecast changes in nitrogen critical load exceedance across Europe arising from agricultural reform

2011

International audience; Atmospheric nitrogen (N) deposition above the critical load causes eutrophication with adverse impacts on biodiversity. Average Accumulated critical load Exceedance (AAE) is a measure of the amount of critical load exceedance and the area of habitat which is affected, and has been adopted in Europe as a pressure indicator for biodiversity. In Europe, AAE is calculated by the Coordination Centre for Effects (CCE) of the United Nations Economic Commission for Europe based on modelled nitrogen deposition and country-level reporting of critical load thresholds and ecosystem area. Due to differences in country-level reporting, AAE values for semi-natural habitats may show…

Supporting group decision makers to locate temporary relief distribution centres after sudden-onset disasters

2020

International audience; In the humanitarian response, multiple decision-makers (DMs) need to collaborate in various problems, such as locating temporary relief distribution centres (RDCs). Several studies have argued that maximising demand coverage, reducing logistics costs and minimising response time are among the critical objectives when locating RDCs after a sudden-onset disaster. However, these objectives are often conflicting and the trade-offs can considerably complicate the situation for finding a consensus.To address the challenge and support the DMs, we suggest investigating the stability of non-dominated alternatives derived from a multi-objective model based on Monte Carlo Simul…

Planktic foraminiferal changes in the western Mediterranean Anthropocene

2021

The increase in anthropogenic induced warming over the last two centuries is impacting marine environment. Planktic foraminifera are a globally distributed calcifying marine zooplankton responding sensitively to changes in sea surface temperatures and interacting with the food web structure. Here, we study two high resolution multicore records from two western Mediterranean Sea regions (Alboran and Balearic basins), areas highly affected by both natural climate change and anthropogenic warming. Cores cover the time interval from the Medieval Climate Anomaly to present. Reconstructed sea surface temperatures are in good agreement with other results, tracing temperature changes through the Co…

Coralline alga reveals first marine record of subarctic North Pacific climate change

2007

[1] While recent changes in subarctic North Pacific climate had dramatic effects on ecosystems and fishery yields, past climate dynamics and teleconnection patterns are poorly understood due to the absence of century-long high-resolution marine records. We present the first 117-year long annually resolved marine climate history from the western Bering Sea/Aleutian Island region using information contained in the calcitic skeleton of the long-lived crustose coralline red alga Clathromorphum nereostratum, a previously unused climate archive. The skeletal δ18O-time series indicates significant warming and/or freshening of surface waters after the middle of the 20th century. Furthermore, the ti…