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  • 1.
    Concina, Isabella
    et al.
    CNR-IDASC SENSOR Laboratory.
    Natile, Marta Maria
    Universita Degli Studi di Padova.
    Tondello, Eugenio
    CNR-ISTM, INSTM, University of Padova.
    Sberveglieri, Giorgio
    SENSOR Lab, Department of Information Engineering, University of Brescia.
    Growth kinetics of CdSe quantum dots generated in polar polymers2012Inngår i: Dalton Transactions, ISSN 1477-9226, E-ISSN 1477-9234, Vol. 41, nr 47, s. 14354-14359Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Growth kinetics of CdSe nanocrystals generated inside three selected polymers (polyvinylpyrrolidone-PVP, polyethyleneglycol-PEG and polyvinylalcohol-PVA) are demonstrated to follow a self-catalytic path, with growth rates depending on the nature of the polymer, i.e. on the capability to activate the cadmium species present in the solution of a metal precursor. A two-step process drives the size evolution of nanocrystals and a critical diameter value can be identified at which the growth regime changes. The medium-term stability evaluation of nanocomposites indicates that, after an initial rearrangement, polymers keep stable the embedded CdSe nanocrystals

  • 2.
    Gai, Fangyuan
    et al.
    Luleå tekniska universitet, Institutionen för teknikvetenskap och matematik, Materialvetenskap.
    Zhou, Tianlei
    Chemical & Materials Engineering Department, University of Nevada at Reno.
    Chu, Guang
    State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, College of Chemistry, Jilin University, Changchun.
    Li, Ye
    Institute of Chemical Materials, China Academy of Engineering Physics, Mianyang, Sichuan.
    Liu, Yunling
    State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, College of Chemistry, Jilin University, Changchun.
    Huo, Qisheng
    State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, College of Chemistry, Jilin University, Changchun.
    Akhtar, Farid
    Luleå tekniska universitet, Institutionen för teknikvetenskap och matematik, Materialvetenskap.
    Mixed anionic surfactant-templated mesoporous silica nanoparticles for fluorescence detection of Fe3+2016Inngår i: Dalton Transactions, ISSN 1477-9226, E-ISSN 1477-9234, Vol. 45, s. 508-514Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    This work demonstrates a novel method for the synthesis of large pore mesoporous silica nanoparticles (MSNs) with a pore diameter of 10.3 nm and a particle diameter of ∼50 nm based on the incorporation of mixed anionic surfactants sodium dodecyl benzene sulfonate (SDBS) and sodium dodecyl sulphate (SDS) as the template in the synthesis process. The dispersity, morphology, pore structure and size of mesoporous nanoparticles were adjusted by changing the molar ratio of two anionic surfactants, the concentration of the co-structure-directing agent (3-aminopropyltrimethoxysilane) and the reaction temperature. The results of synthesis experiments suggested that the formation of large pore MSNs involved a nucleation and growth process. MSNs were post-grafted with a Schiff base moiety for fluorescence sensing of Fe3+ in water. The applicability of functionalized MSNs was demonstrated by selective fluorescence detection of Fe3+ in aqueous media.

  • 3.
    Gowda, Vasantha
    et al.
    Luleå tekniska universitet, Institutionen för samhällsbyggnad och naturresurser, Kemiteknik.
    Laitinen, Risto S.
    Laboratory of Inorganic Chemistry, University of Oulu.
    Telkki, Ville-Veikko
    NMR Research Unit, University of Oulu.
    Larsson, Anna-Carin
    Luleå tekniska universitet, Institutionen för samhällsbyggnad och naturresurser, Kemiteknik.
    Antzutkin, Oleg
    Luleå tekniska universitet, Institutionen för samhällsbyggnad och naturresurser, Kemiteknik.
    Lantto, Perttu
    NMR Research Unit, University of Oulu.
    DFT calculations in the assignment of solid-state NMR and crystal structure elucidation of a lanthanum(iii) complex with dithiocarbamate and phenanthroline2016Inngår i: Dalton Transactions, ISSN 1477-9226, E-ISSN 1477-9234, Vol. 45, nr 48, s. 19473-19484Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    The molecular, crystal, and electronic structures as well as spectroscopic properties of a mononuclear heteroleptic lanthanum(iii) complex with diethyldithiocarbamate and 1,10-phenanthroline ligands (3 : 1) were studied by solid-state 13C and 15N cross-polarisation (CP) magic-angle-spinning (MAS) NMR, X-ray diffraction (XRD), and first principles density functional theory (DFT) calculations. A substantially different powder XRD pattern and 13C and 15N CP-MAS NMR spectra indicated that the title compound is not isostructural to the previously reported analogous rare earth complexes with the space group P21/n. Both 13C and 15N CP-MAS NMR revealed the presence of six structurally different dithiocarbamate groups in the asymmetric unit cell, implying a non-centrosymmetric packing arrangement of molecules. This was supported by single-crystal X-ray crystallography showing that the title compound crystallised in the triclinic space group P1[combining macron]. In addition, the crystal structure also revealed that one of the dithiocarbamate ligands has a conformational disorder. NMR chemical shift calculations employing the periodic gauge including projector augmented wave (GIPAW) approach supported the assignment of the experimental 13C and 15N NMR spectra. However, the best correspondences were obtained with the structure where the atomic positions in the X-ray unit cell were optimised at the DFT level. The roles of the scalar and spin-orbit relativistic effects on NMR shielding were investigated using the zeroth-order regular approximation (ZORA) method with the outcome that already the scalar relativistic level qualitatively reproduces the experimental chemical shifts. The electronic properties of the complex were evaluated based on the results of the natural bond orbital (NBO) and topology of the electron density analyses. Overall, we apply a multidisciplinary approach acquiring comprehensive information about the solid-state structure and the metal-ligand bonding of the heteroleptic lanthanum complex.

  • 4.
    Khrizanforov, Mikhail N
    et al.
    Arbuzov Institute of Organic and Physical Chemistry, FRC Kazan Scientific Center of RAS, Russian Federation.
    Fedorenko, Svetlana V
    Arbuzov Institute of Organic and Physical Chemistry, FRC Kazan Scientific Center of RAS, Russian Federation.
    Mustafina, Asiya R
    Arbuzov Institute of Organic and Physical Chemistry, FRC Kazan Scientific Center of RAS, Russian Federation.
    Kholin, Kirill V
    Arbuzov Institute of Organic and Physical Chemistry, FRC Kazan Scientific Center of RAS, Russian Federation.
    Nizameev, Irek R
    Arbuzov Institute of Organic and Physical Chemistry, FRC Kazan Scientific Center of RAS, Russian Federation.
    Strekalova, Sofia O
    Arbuzov Institute of Organic and Physical Chemistry, FRC Kazan Scientific Center of RAS, Russian Federation.
    Grinenko, Valeriya V
    Arbuzov Institute of Organic and Physical Chemistry, FRC Kazan Scientific Center of RAS, Russian Federation.
    Gryaznova, Tatiana V
    Arbuzov Institute of Organic and Physical Chemistry, FRC Kazan Scientific Center of RAS, Russian Federation.
    Zairov, Rustem R
    Arbuzov Institute of Organic and Physical Chemistry, FRC Kazan Scientific Center of RAS, Russian Federation.
    Mazzaro, Raffaello
    Luleå tekniska universitet, Institutionen för teknikvetenskap och matematik, Materialvetenskap. CNR-IMM, Bologna Section, Bologna, Italy.
    Morandi, Vittorio
    CNR-IMM, Bologna Section, Bologna, Italy.
    Vomiero, Alberto
    Luleå tekniska universitet, Institutionen för teknikvetenskap och matematik, Materialvetenskap.
    Budnikova, Yulia H
    Arbuzov Institute of Organic and Physical Chemistry, FRC Kazan Scientific Center of RAS, Russian Federation.
    Silica-supported silver nanoparticles as an efficient catalyst for aromatic C-H alkylation and fluoroalkylation2018Inngår i: Dalton Transactions, ISSN 1477-9226, E-ISSN 1477-9234, Vol. 47, nr 29, s. 9608-9616Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    The efficient catalysis of oxidative alkylation and fluoroalkylation of aromatic C-H bonds is of paramount importance in the pharmaceutical and agrochemical industries, and requires the development of convenient Ag0-based nano-architectures with high catalytic activity and recyclability. We prepared Ag-doped silica nanoparticles (Ag0/+@SiO2) with a specific nano-architecture, where ultra-small sized silver cores are immersed in silica spheres, 40 nm in size. The nano-architecture provides an efficient electrochemical oxidation of Ag+@SiO2 without any external oxidant. In turn, Ag+@SiO2 5 mol% results in 100% conversion of arenes into their alkylated and fluoroalkylated derivatives in a single step at room temperature under nanoheterogeneous electrochemical conditions. Negligible oxidative leaching of silver from Ag0/+@SiO2 is recorded during the catalytic coupling of arenes with acetic, difluoroacetic and trifluoroacetic acids, which enables the good recyclability of the catalytic function of the Ag0/+@SiO2 nanostructure. The catalyst can be easily separated from the reaction mixture and reused a minimum of five times upon electrochemical regeneration. The use of the developed Ag0@SiO2 nano-architecture as a heterogeneous catalyst facilitates aromatic C-H bond substitution by alkyl and fluoroalkyl groups, which are privileged structural motifs in pharmaceuticals and agrochemicals.

  • 5.
    Lipstman, Sophia
    et al.
    Tel-Aviv University, Ramat-Aviv, School of Chemistry, Sackler Faculty of Exact.
    Muniappan, Sankar
    Tel-Aviv University, Ramat-Aviv, School of Chemistry, Sackler Faculty of Exact.
    George, Sumod
    Goldberg, Israel
    Tel-Aviv University, Ramat-Aviv, School of Chemistry, Sackler Faculty of Exact.
    Framework coordination polymers of tetra(4-carboxyphenyl)porphyrin and lanthanide ions in crystalline solids2007Inngår i: Dalton Transactions, ISSN 1477-9226, E-ISSN 1477-9234, nr 30, s. 3273-3281Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Targeted synthesis of framework coordination polymers was achieved by reacting meso-tetra(4-carboxyphenyl)porphyrin with common salts of lanthanide metal ions. The large size, high coordination numbers and strong affinity for oxo ligands of the latter, combined with favourable hydrothermal reaction conditions in acidic environments, allowed the formation of open three-dimensional single-framework architectures in which the tetra-dentate porphyrin units are inter-coordinated by multinuclear assemblies of the bridging metal ions, which serve as construction pillars, into infinite architectures. Three different modes of coordination polymerisation were characterized by single-crystal X-ray diffraction. They differ by the nuclearity of the metal connectors. All structures exhibit, however, layered organization of the porphyrin-metal domains, and periodically spaced solvent accessible channel voids that penetrate through these layers throughout the corresponding crystals. Thermal analysis provided additional insight into the stability of these polymeric materials.

  • 6.
    Zhang, Hanzhu
    et al.
    Luleå tekniska universitet, Institutionen för teknikvetenskap och matematik, Materialvetenskap. Luleå university of technology.
    Hedman, Daniel
    Luleå tekniska universitet, Institutionen för teknikvetenskap och matematik, Materialvetenskap.
    Feng, Peizhong
    China University of Mining and Technology.
    Han, Gang
    University of Science and Technology Beijing.
    Akhtar, Farid
    Luleå tekniska universitet, Institutionen för teknikvetenskap och matematik, Materialvetenskap.
    A high-entropy B4(HfMo2TaTi)C and SiC ceramic composite2019Inngår i: Dalton Transactions, ISSN 1477-9226, E-ISSN 1477-9234, Vol. 48, nr 16, s. 5161-5167Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    A multicomponent composite of refractory carbides, B4C, HfC, Mo2C, TaC, TiC and SiC, of rhombohedral, face-centered cubic (FCC) and hexagonal crystal structures is reported to form a single phase B4(HfMo2TaTi)C ceramic with SiC. The independent diffusion of the metal and nonmetal atoms led to a unique hexagonal lattice structure of the B4(HfMo2TaTi)C ceramic with alternating layers of metal atoms and C/B atoms. In addition, the classical differences in the crystal structures and lattice parameters among the utilized carbides were overcome. Electron microscopy, X-ray diffraction and calculations using density functional theory (DFT) confirmed the formation of a single phase B4(HfMo2TaTi)C ceramic with a hexagonal close-packed (HCP) crystal structure. The DFT based crystal structure prediction suggests that the metal atoms of Hf, Mo, Ta and Ti are distributed on the (0001) plane in the HCP lattice, while the carbon/boron atoms form hexagonal 2D grids on the (0002) plane in the HCP unit cell. The nanoindentation of the high-entropy phase showed hardness values of 35 GPa compared to the theoretical hardness value estimated based on the rule of mixtures (23 GPa). The higher hardness was contributed by the solid solution strengthening effect in the multicomponent hexagonal structure. The addition of SiC as the secondary phase in the sintered material tailored the microstructure of the composite and offered oxidation resistance to the high-entropy ceramic composite at high temperatures.

  • 7.
    Zhang, Hanzhu
    et al.
    Luleå tekniska universitet, Institutionen för teknikvetenskap och matematik, Materialvetenskap. Luleå university of technology.
    Hedman, Daniel
    Luleå tekniska universitet, Institutionen för teknikvetenskap och matematik, Materialvetenskap.
    Feng, Peizhong
    China University of Mining and Technology.
    Han, Gang
    University of Science and Technology Beijing.
    Akhtar, Farid
    Luleå tekniska universitet, Institutionen för teknikvetenskap och matematik, Materialvetenskap.
    Correction: A high-entropy B4(HfMo2TaTi)C and SiC ceramic composite2019Inngår i: Dalton Transactions, ISSN 1477-9226, E-ISSN 1477-9234, Vol. 48, nr 19, s. 6647-6647Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    The authors regret that there is an error in writing the crystal structure in the article. The authors would like to address as follows:

    The presented XRD and TEM results revealed a hexagonal crystal structure. The following analyses including the identification of the lattice parameters and the DFT calculation were based on a hexagonal lattice. Therefore, the HCP (hexagonal close-packed) structure mentioned in the article should be regarded as a hexagonal structure. The HCP term used in the introduction, where the article from Joshua Gild et al. was cited, should also be regarded as hexagonal AlB2 structure.

    The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.

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