Electronic Structure Characterization of a Thiophene Benzo-Annulated Series of Common Building Blocks for Donor and Acceptor Compounds Studied by Gas Phase Photoelectron and Photoabsorption Synchrotron Spectroscopies

2018 ◽  
Vol 122 (44) ◽  
pp. 8745-8761 ◽  
Author(s):  
D. Toffoli ◽  
A. Guarnaccio ◽  
C. Grazioli ◽  
T. Zhang ◽  
F. Johansson ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Gas Phase ◽  
Building Blocks ◽  
Structure Characterization ◽  
Donor And Acceptor

Synthesis and Characterization of Cl2HSi-O-NMe2

2004 ◽  
Vol 59 (11-12) ◽  
pp. 1505-1511 ◽  
Author(s):  
Krunoslav Vojinović ◽  
Norbert W. Mitzel ◽  
Thomas Foerster ◽  
W. H. Rankin
Keyword(s):  
Gas Phase ◽  
Reasonable Agreement ◽  
Synthesis And Characterization ◽  
Gauche Conformer ◽  
Anti Conformer ◽  
Donor And Acceptor ◽  
Multinuclear Nmr Spectroscopy ◽  
Repulsive Forces ◽  
Gas Phase Electron Diffraction

O-(Dichlorosilyl)-N,N-dimethylhydroxylamine, Cl2HSiONMe2, was synthesised by the reaction of O-lithio-N,N-dimethylhydroxylamine with an excess of trichlorosilane. The compound was characterised by multinuclear NMR spectroscopy (1H, 13C, 15N, 29Si), gas-phase IR spectroscopy and mass spectrometry. The structure of Cl2HSiONMe2 was determined by gas-phase electron diffraction. It exists as two conformers in the vapour, named anti and gauche after the position of the SiH hydrogen atom relative to the SiON skeleton. The anti:gauche ratio in the vapour was determined to be 40:60. The anti conformer shows only a weak attractive interaction between the geminal donor and acceptor centres N and Si [angle Si-O-N 111.1(20)­°], whereas these interactions are stronger in the gauche conformer [angle Si-O-N 98.8(12)°]. Further structure-determining forces from weak hydrogen bridges of the Si-Cl ···H-C type and van der Waals repulsive forces are also discussed. The experimental results are in reasonable agreement with ab initio calculations at the MP2/6-311++G** level of theory.

Hydrothermal Synthesis and Structure Characterization of a Bi-Capped Keggin Heteropoly Molybdovanadated Derivative

2014 ◽  
Vol 1004-1005 ◽  
pp. 542-545
Author(s):  
Ya Bing Liu ◽  
Li Guang Xiao
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Building Blocks ◽  
Crystal Structure Analysis ◽  
Structure Characterization ◽  
X Ray Diffraction ◽  
X Ray ◽  
Hydrogen Bonding Interactions ◽  
Supramolecular Networks

A new bi-capped Keggin heteropoly molybdovanadated derivative, [Co (en)3]2[SiMo8V6O42]∙6H2O (1) (en = ethylendiamine) has been hydrothermally synthesized and structurally characterized by the elemental analysis, IR, XPS and single crystal X-ray diffraction. The crystal structure analysis reveals that compound 1 consists of [Co (en)3]2+transition metal coordination fragment and the [SiMo8V6O42]4-building blocks, which are linked together via hydrogen-bonding interactions to form a new 3-D supramolecular networks.

scholarly journals Comprehensive electronic structure characterization of pristine and nitrogen/phosphorus doped carbon nanocages

Carbon ◽  
2016 ◽  
Vol 103 ◽  
pp. 480-487 ◽  
Author(s):  
Hui Zhang ◽  
Xin Li ◽  
Duo Zhang ◽  
Liang Zhang ◽  
Mukes Kapilashrami ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Structure Characterization ◽  
Phosphorus Doped ◽  
Nitrogen Phosphorus

Electronic Structure Characterization of La Incorporated Hf-Based High-k Gate Dielectrics by NEXAFS

2011 ◽  
Vol 11 (4) ◽  
pp. 2823-2828 ◽  
Author(s):  
Takashi Yamamoto ◽  
Singo Ogawa ◽  
Masahiro Kunisu ◽  
Junichi Tsuji ◽  
Koji Kita ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Gate Dielectrics ◽  
Structure Characterization

Spectroscopic and electronic structure characterization of hydrogen bonding in 2-Bromohydroquinone

2019 ◽  
Vol 1181 ◽  
pp. 71-82 ◽  
Author(s):  
Shivanand S. Malaganvi ◽  
Jayashree Tonannavar Yenagi ◽  
J. Tonannavar
Keyword(s):  
Hydrogen Bonding ◽  
Electronic Structure ◽  
Structure Characterization
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