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97 Newest Publications about the topic krypton

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ChemInform Abstract: Investigation of Praseodymium Fluorides: A Combined Matrix‐Isolation and Quantum‐Chemical Study.

28-Jan-2016 | Thomas Vent‐Schmidt, Sebastian Riedel, ChemInform, 2016

Abstract Reaction products of laser‐ablated praseodymium atoms with fluorine in excess neon, argon, krypton, or neat fluorine at 4—10 K are investigated by IR spectroscopy and quantum chemical DFT and coupled‐cluster calculations.

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High-pressure stabilization of argon fluorides

12-Jan-2016 | Dominik Kurzydłowski; Patryk Zaleski-Ejgierd, Physical Chemistry Chemical Physics, 2016

On account of the rapid development of noble gas chemistry in the past half-century both xenon and krypton compounds can now be isolated in macroscopic quantities. The same does not hold true for the next lighter group 18 element, argon, which forms only isolated molecules stable solely in low ...

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High-pressure stabilization of argon fluorides

30-Dec-2015 | Dominik Kurzydłowski; Patryk Zaleski-Ejgierd, Physical Chemistry Chemical Physics, 2015

On account of the rapid development of noble gas chemistry in the past half-century both xenon and krypton compounds can now be isolated in macroscopic quantities. The same though does not hold true for the next lighter group 18 element, argon, which forms only isolated molecules stable solely in ...

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Diacetylenes with Ionic‐Liquid‐Like Substituents: Associating a Polymerizing Cation with a Polymerizing Anion in a Single Precursor for the Synthesis of N‐Doped Carbon Materials

23-Dec-2015 | Karim Fahsi, Xavier Dumail, Sylvain G. Dutremez, Arie van der Lee, André Vioux, Lydie Viau , Chemistry - A European Journal, 2015

Abstract Imidazolium‐ and benzimidazolium‐substituted diacetylenes with bromide or nitrogen‐rich dicyanamide and tricyanomethanide anions were synthesized and used as precursors for the preparation of N‐doped carbon materials. On pyrolysis under argon at 800 °C both halide precursors afforded ...

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Effect of hydration on the organo-noble gas molecule HKrCCH: role of krypton in the stabilization of hydrated HKrCCH complexes

17-Nov-2015 | Biswajit Biswas; Prashant Chandra Singh, Physical Chemistry Chemical Physics, 2015

The effect of hydration on the fluorine free organo-noble gas compound HKrCCH and the role of krypton in the stabilization of the hydrated HKrCCH complexes have been investigated using the quantum chemical calculations on the HKrCCH–(H2O)n=1–6 clusters. Structure and energetics calculations show ...

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Microwave, r0 Structural Parameters, Conformational Stability, and Vibrational Assignment of (Chloromethyl)fluorosilane

13-Nov-2015 | Gamil A. Guirgis; Dattatray K. Sawant; Reid E. Brenner; Bhushan S. Deodhar; Nathan A. Seifert; Yannick Geboes; Brook ..., Journal of Physical Chemistry A, 2015

The FT-microwave spectrum (6.5–26 GHz) of (chloromethyl)fluorosilane (ClCH2–SiH2F) has been recorded and 250 transitions for the parent species along with 13C, 37Cl, 29Si, and 30Si isotopologues have been assigned for trans conformer. Infrared spectra (3100 to 400 cm–1) of gas, solid, and the ...

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Phase Transition of Tetra-n-butylammonium Bromide Hydrates Enclosing Krypton

10-Nov-2015 | Yusuke Jin; Masato Kida; Jiro Nagao, Journal of Chemical & Engineering Data, 2015

The phase equilibrium conditions for krypton (Kr)–tetra-n-butylammonium bromide (TBAB)–water systems were determined using an isochoric method. The pressure and temperature ranges were (0.06 to 1.0) MPa and (280 to 290) K, respectively, and TBAB solutions had TBAB molar fractions, xTBAB, of ...

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Investigation of Praseodymium Fluorides: A Combined Matrix-Isolation and Quantum-Chemical Study

06-Nov-2015 | Thomas Vent-Schmidt; Sebastian Riedel, Inorganic Chemistry, 2015

The chemistry of the lanthanides is mostly dominated by compounds in the oxidation state +III. Only few compounds of Ce, Pr, and Tb are known with the metal in the +IV oxidation state. Removal of the last f-electron on praseodymium +IV would lead to a closed-shell system with formal oxidation ...

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Optimizing Noble Gas–Water Interactions via Monte Carlo Simulations

30-Oct-2015 | Oliver Warr; Chris J. Ballentine; Junju Mu; Andrew Masters, Journal of Physical Chemistry B, 2015

In this work we present optimized noble gas–water Lennard-Jones 6-12 pair potentials for each noble gas. Given the significantly different atomic nature of water and the noble gases, the standard Lorentz–Berthelot mixing rules produce inaccurate unlike molecular interactions between these two ...

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Spin‐orbit ZORA and four‐component Dirac–Coulomb estimation of relativistic corrections to isotropic nuclear shieldings and chemical shifts of noble gas dimers

27-Oct-2015 | Marzena Jankowska, Teobald Kupka, Leszek Stobiński, Rasmus Faber, Evanildo G. Lacerda Jr., Stephan P. A. Sauer, Journal of Computational Chemistry, 2015

Hartree–Fock and density functional theory with the hybrid B3LYP and general gradient KT2 exchange‐correlation functionals were used for nonrelativistic and relativistic nuclear magnetic shielding calculations of helium, neon, argon, krypton, and xenon dimers and free atoms. Relativistic ...

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