The Experts below are selected from a list of 252 Experts worldwide ranked by ideXlab platform
Marcin Wilczek - One of the best experts on this subject based on the ideXlab platform.
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13c and 1h nuclear magnetic shielding and spin spin coupling constants of 13c enriched Bromomethane in the gas phase
Chemical Physics Letters, 2007Co-Authors: Karol Jackowski, Marek Kubiszewski, Marcin WilczekAbstract:Abstract 13 C and 1 H NMR spectral parameters are investigated for 13 CH 3 Br in gaseous matrices. It is found that both the 13 C and 1 H chemical shifts of 13 CH 3 Br are linearly dependent on solvent density. Similar dependence is also detected for one-bond spin–spin coupling, 1 J (CH). For the first time the 13 C and 1 H magnetic shielding constants and 1 J (CH) spin–spin coupling are obtained for an isolated 13 CH 3 Br molecule together with the coefficients responsible for solute–solvent molecular interactions in gaseous matrices. The present experimental results confirm the accuracy of some recent ab initio calculations of nuclear magnetic shielding performed for Bromomethane.
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13C and 1H nuclear magnetic shielding and spin–spin coupling constants of 13C-enriched Bromomethane in the gas phase
Chemical Physics Letters, 2007Co-Authors: Karol Jackowski, Marek Kubiszewski, Marcin WilczekAbstract:Abstract 13 C and 1 H NMR spectral parameters are investigated for 13 CH 3 Br in gaseous matrices. It is found that both the 13 C and 1 H chemical shifts of 13 CH 3 Br are linearly dependent on solvent density. Similar dependence is also detected for one-bond spin–spin coupling, 1 J (CH). For the first time the 13 C and 1 H magnetic shielding constants and 1 J (CH) spin–spin coupling are obtained for an isolated 13 CH 3 Br molecule together with the coefficients responsible for solute–solvent molecular interactions in gaseous matrices. The present experimental results confirm the accuracy of some recent ab initio calculations of nuclear magnetic shielding performed for Bromomethane.
Wenyue Su - One of the best experts on this subject based on the ideXlab platform.
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photocatalytic degradation of Bromomethane on sol gel derived so4 2 tio2
Huan jing ke xue= Huanjing kexue [bian ji Zhongguo ke xue yuan huan jing ke xue wei yuan hui "Huan jing ke xue" bian ji wei yuan hui.], 2001Co-Authors: Wenyue Su, X FuAbstract:: SO4(2-)/TiO2 photocatalysts were prepared by sol-gel method and characterized by X-ray diffraction (XRD), FTIR spectroscopy and N2 sorption analysis applying BET method. Photocatalytic decomposition of CH3Br in air stream was studied over SO4(2-)/TiO2 photocatalysts under the different reaction conditions. The results showed that the addition of SO4(2-) to TiO2 greatly enhanced its structural and photocatalytic properties. The optimum concentration of SO4(2-) on TiO2 was 9% wt and the best calcination temperature was 450 degrees C. Moreover, the sulfated TiO2(SO4(2-)/TiO2) exhibited excellent stability of activity under the moist reaction condition. When the reaction temperature was below 85 degrees C, the reactivity of Bromomethane was enhanced with increasing reaction temperatures, and the apparent Arrehenius activation energy was 19.6 kJ.mol-1. In the reaction temperature range of 85 degrees C-105 degrees C, the apparent Arrehenius activation energy was zero.
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Photocatalytic degradation of Bromomethane on sol-gel-derived SO4(2-)/TiO2
Huan jing ke xue= Huanjing kexue, 2001Co-Authors: Wenyue Su, Fu X, Wei KAbstract:SO4(2-)/TiO2 photocatalysts were prepared by sol-gel method and characterized by X-ray diffraction (XRD), FTIR spectroscopy and N2 sorption analysis applying BET method. Photocatalytic decomposition of CH3Br in air stream was studied over SO4(2-)/TiO2 photocatalysts under the different reaction conditions. The results showed that the addition of SO4(2-) to TiO2 greatly enhanced its structural and photocatalytic properties. The optimum concentration of SO4(2-) on TiO2 was 9% wt and the best calcination temperature was 450 degrees C. Moreover, the sulfated TiO2(SO4(2-)/TiO2) exhibited excellent stability of activity under the moist reaction condition. When the reaction temperature was below 85 degrees C, the reactivity of Bromomethane was enhanced with increasing reaction temperatures, and the apparent Arrehenius activation energy was 19.6 kJ.mol-1. In the reaction temperature range of 85 degrees C-105 degrees C, the apparent Arrehenius activation energy was zero.
Karol Jackowski - One of the best experts on this subject based on the ideXlab platform.
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13c and 1h nuclear magnetic shielding and spin spin coupling constants of 13c enriched Bromomethane in the gas phase
Chemical Physics Letters, 2007Co-Authors: Karol Jackowski, Marek Kubiszewski, Marcin WilczekAbstract:Abstract 13 C and 1 H NMR spectral parameters are investigated for 13 CH 3 Br in gaseous matrices. It is found that both the 13 C and 1 H chemical shifts of 13 CH 3 Br are linearly dependent on solvent density. Similar dependence is also detected for one-bond spin–spin coupling, 1 J (CH). For the first time the 13 C and 1 H magnetic shielding constants and 1 J (CH) spin–spin coupling are obtained for an isolated 13 CH 3 Br molecule together with the coefficients responsible for solute–solvent molecular interactions in gaseous matrices. The present experimental results confirm the accuracy of some recent ab initio calculations of nuclear magnetic shielding performed for Bromomethane.
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13C and 1H nuclear magnetic shielding and spin–spin coupling constants of 13C-enriched Bromomethane in the gas phase
Chemical Physics Letters, 2007Co-Authors: Karol Jackowski, Marek Kubiszewski, Marcin WilczekAbstract:Abstract 13 C and 1 H NMR spectral parameters are investigated for 13 CH 3 Br in gaseous matrices. It is found that both the 13 C and 1 H chemical shifts of 13 CH 3 Br are linearly dependent on solvent density. Similar dependence is also detected for one-bond spin–spin coupling, 1 J (CH). For the first time the 13 C and 1 H magnetic shielding constants and 1 J (CH) spin–spin coupling are obtained for an isolated 13 CH 3 Br molecule together with the coefficients responsible for solute–solvent molecular interactions in gaseous matrices. The present experimental results confirm the accuracy of some recent ab initio calculations of nuclear magnetic shielding performed for Bromomethane.
Olle Bjorneholm - One of the best experts on this subject based on the ideXlab platform.
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suppression of the molecular ultra fast dissociation in Bromomethane clusters
Journal of Chemical Physics, 2014Co-Authors: Torbjorn Rander, Andreas Lindblad, I Bradeanu, Gunnar Ohrwall, Svante Svensson, Olle BjorneholmAbstract:We address the influence of clustering on the ultra-fast dissociation of Bromomethane. Valence and core photo-electron spectroscopy, partial electron yield absorption, and resonant Auger spectroscopy have been used together with ab initio calculations to investigate the properties of the ultra-fast dissociation. The ratio of ultra-fast dissociation of molecules in clusters as compared to free molecules is determined to be significantly reduced. We propose partial delocalization of the excited electronic state as being responsible for this behavior.
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suppression of the ultrafast dissociation of Bromomethane molecules in clusters
2007Co-Authors: Torbjorn Rander, Andreas Lindblad, I Bradeanu, Gunnar Ohrwall, Svante Svensson, Olle BjorneholmAbstract:Atoms, molecules and clusters all constitute building blocks of macroscopic matter. Therefore, understanding the electronic and geometrical properties of such systems is the key to understanding the properties of solid state objects.In this thesis, some atomic, molecular and cluster systems (clusters of O2, CH3Br, Ar/O2, Ar/Xe and Ar/Kr; dimers of Na; Na and K atoms) have been investigated using synchrotron radiation, and in the two last instances, laser light. We have performed x-ray photoelectron spectroscopy (XPS) on all of these systems. We have also applied ultraviolet photoelectron spectroscopy (UPS), resonant Auger spectroscopy (RAS) and near-edge x-ray absorption spectroscopy (NEXAFS) to study many of the systems. Calculations using ab initio methods, namely density functional theory (DFT) and Moller-Plesset perturbation theory (MP), were employed for electronic structure calculations. The geometrical structure was studied using a combination of ab initio and molecular dynamics (MD) methods.Results on the dissociation behavior of CH3Br and O2 molecules in clusters are presented. The dissociation of the Na2 molecule has been characterized and the molecular field splitting of the Na 2p level in the dimer has been measured. The molecular field splitting of the CH3Br 3d level has been measured and the structure of CH3Br clusters has been determined to be similar to the structure of the bulk solid. The diffusion behavior of O2, Kr and Xe on large Ar clusters, as a function of doping rate, has been investigated. The shake-down process has been observed from excited states of Na and K. Laser excited Na atoms have been shown to be magnetically aligned. The shake-down process was used to characterize the origin of various final states that can be observed in the spectrum of ground-state K.
X Fu - One of the best experts on this subject based on the ideXlab platform.
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photocatalytic degradation of Bromomethane on sol gel derived so4 2 tio2
Huan jing ke xue= Huanjing kexue [bian ji Zhongguo ke xue yuan huan jing ke xue wei yuan hui "Huan jing ke xue" bian ji wei yuan hui.], 2001Co-Authors: Wenyue Su, X FuAbstract:: SO4(2-)/TiO2 photocatalysts were prepared by sol-gel method and characterized by X-ray diffraction (XRD), FTIR spectroscopy and N2 sorption analysis applying BET method. Photocatalytic decomposition of CH3Br in air stream was studied over SO4(2-)/TiO2 photocatalysts under the different reaction conditions. The results showed that the addition of SO4(2-) to TiO2 greatly enhanced its structural and photocatalytic properties. The optimum concentration of SO4(2-) on TiO2 was 9% wt and the best calcination temperature was 450 degrees C. Moreover, the sulfated TiO2(SO4(2-)/TiO2) exhibited excellent stability of activity under the moist reaction condition. When the reaction temperature was below 85 degrees C, the reactivity of Bromomethane was enhanced with increasing reaction temperatures, and the apparent Arrehenius activation energy was 19.6 kJ.mol-1. In the reaction temperature range of 85 degrees C-105 degrees C, the apparent Arrehenius activation energy was zero.