Probing the electronic properties and structural evolution of anionic gold clusters in the gas phase

Nanoscale ◽  
2012 ◽  
Vol 4 (14) ◽  
pp. 4038 ◽  
Author(s):  
Lei-Ming Wang ◽  
Lai-Sheng Wang
Keyword(s):  
Electronic Properties ◽  
Gas Phase ◽  
Structural Evolution ◽  
Gold Clusters

Photoelectron Spectroscopy and Theoretical Study of AlnC5-/0 (n = 1-5) clusters: Structural Evolution, Relative Stability of Star-Like Cluster, and Planar Tetracoordinate Carbon Structure

2021 ◽  
Author(s):  
Chao-Jiang Zhang ◽  
Peng Wang ◽  
Xi-Ling Xu ◽  
Hong-Guang Xu ◽  
Weijun Zheng
Keyword(s):  
Gas Phase ◽  
Photoelectron Spectroscopy ◽  
Relative Stability ◽  
Theoretical Study ◽  
Structural Evolution ◽  
Carbon Structure ◽  
Anion Photoelectron Spectroscopy

The AlnC5- (n = 1-5) clusters were detected in the gas-phase and were investigated by mass-selected anion photoelectron spectroscopy. The structures of AlnC5-/0 (n = 1-5) were explored by theoretical...

How O2-Binding Affects Structural Evolution of Medium Even-Sized Gold Clusters Aun– (n = 20–34)

2021 ◽  
pp. 3560-3570
Author(s):  
Navneet Singh Khetrapal ◽  
David Deibert ◽  
Rhitankar Pal ◽  
Ling Fung Cheung ◽  
Lai-Sheng Wang ◽  
...  
Keyword(s):  
Structural Evolution ◽  
Gold Clusters ◽  
O2 Binding

Structural evolution study of 1−2 nm gold clusters

2011 ◽  
Vol 65 (3) ◽  
pp. 411-420 ◽  
Author(s):  
M. R. Beltrán ◽  
R. Suárez Raspopov ◽  
G. González
Keyword(s):  
Structural Evolution ◽  
Gold Clusters ◽  
Evolution Study

scholarly journals Absorption mechanism, structural and electronic properties of MC19 (M = B and Si) fullerenes with 1-acetylpiperazine

2017 ◽  
Vol 36 (1-2) ◽  
pp. 797-804
Author(s):  
Özgür Alver ◽  
Cemal Parlak ◽  
Mohamed I Elzagheid ◽  
Ponnadurai Ramasami
Keyword(s):  
Electronic Properties ◽  
Gas Phase ◽  
Basis Set ◽  
Stable Complex ◽  
Absorption Mechanism ◽  
Boron Doped ◽  
Structural And Electronic Properties ◽  
Influence Of Water ◽  
Vibrational Bands ◽  
Silicon Doped

The interaction mechanisms of undoped, silicon- and boron-doped C20 fullerenes and 1-acetylpiperazine (1-ap) were investigated. Stability, electronic properties, influence of water on the solubility and stability, molecular parameters, descriptive vibrational bands and nuclear magnetic resonance shielding values are reported. The quantum mechanical calculations were carried out using the M06-2X functional and the 6-31G(d) basis set. It is observed that all the complexes are more stabilized in water compared to the gas phase. The most stable complex was found as silicon-doped fullerene interacting with the carbonyl edge of 1-ap releasing energy of 64.13 kcal/mol in water.

Phase Characterization and Grain Size Effects of Nanophase Y2O3, ZrO2 and Y2O3-ZrO2 Composites Produced by the Gas-Phase Condensation Technique

1992 ◽  
Vol 286 ◽  
Author(s):  
C. M. Foster ◽  
G. R. Bai ◽  
J. C. Parker ◽  
M. N. Ali
Keyword(s):  
Grain Size ◽  
Raman Scattering ◽  
Gas Phase ◽  
Size Effects ◽  
Structural Evolution ◽  
Deposition Process ◽  
X Ray Diffraction ◽  
X Ray ◽  
Nanophase Materials ◽  
Phase Characterization

ABSTRACTNanophase (n-) ZrO2 was produced in its pure and partially stabilized form by the gas-phase condensation method. The material was examined by x-ray diffraction and Raman scattering to obtain information on the structural evolution of the material during sintering. Two types of Y2O3 doped ZrO2 nanophase materials were made one by co-deposition of n-Y2O3 and n-ZrO2 in a consecutive manner and the second by mechanically mixing n-Y2O3 and n-ZrO2. We have determined that the co-deposition process is the most effect means of doping the n-ZrO2.

scholarly journals Investigating the Environment-dependent Photophysics of Chlorine Dioxide With Resonance Raman Intensities

1999 ◽  
Vol 19 (1-4) ◽  
pp. 305-309
Author(s):  
Anthony P. Esposito ◽  
Catherine E. Foster ◽  
Philip J. Reid
Keyword(s):  
Excited State ◽  
Gas Phase ◽  
Chlorine Dioxide ◽  
Resonance Raman ◽  
Structural Evolution ◽  
Reaction Dynamics ◽  
Intensity Analysis ◽  
Normal Coordinates ◽  
Raman Intensities ◽  
Asymmetric Stretch

The condensed-phase excited-state reaction dynamics of chlorine dioxide are investigated using resonance Raman intensity analysis. Absolute Raman intensities are measured on resonance with the 2B2–2A2 electronic transition and used to establish the excited-state structural evolution which occurs on the 2A2 surface following photoexcitation. Analysis of the intensities demonstrates that excited-state relaxation occurs along all three normal coordinates; however, only modest evolution is observed along the asymmetric stretch. This limited relaxation stands in contrast to the extensive motion along this coordinate in the gas phase. It is proposed that the initial excited-state structural relaxation serves to define the symmetry of the reaction coordinate and thus the mechanism of Cl production following photolysis of OClO.

scholarly journals 1JCH couplings in Group 14/IVA tetramethyls from the gas-phase NMR and DFT structural study: a search for the best computational protocol

2014 ◽  
Vol 16 (29) ◽  
pp. 15699-15708 ◽  
Author(s):  
Ryszard B. Nazarski ◽  
Włodzimierz Makulski
Keyword(s):  
Dft Calculations ◽  
Electronic Properties ◽  
Gas Phase ◽  
Structural Study ◽  
Group 14 ◽  
Computational Protocol ◽  
Isolated Molecules

The gas-phase 1J0,CHs in ‘isolated’ molecules of EMe4 were determined and discussed in terms of their geometric/electronic properties obtained from DFT calculations.

Density functional study of structural and electronic properties of bimetallic silver–gold clusters: Comparison with pure gold and silver clusters

2002 ◽  
Vol 117 (7) ◽  
pp. 3120-3131 ◽  
Author(s):  
Vlasta Bonačić-Koutecký ◽  
Jaroslav Burda ◽  
Roland Mitrić ◽  
Maofa Ge ◽  
Giuseppe Zampella ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Density Functional ◽  
Gold Clusters ◽  
Pure Gold ◽  
Functional Study ◽  
Silver Clusters ◽  
Density Functional Study ◽  
Structural And Electronic Properties
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