Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton − Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation

2005 ◽  
Vol 127 (12) ◽  
pp. 4354-4371 ◽  
Author(s):  
Makoto Yamashita ◽  
Yohsuke Yamamoto ◽  
Kin-ya Akiba ◽  
Daisuke Hashizume ◽  
Fujiko Iwasaki ◽  
...  
Keyword(s):  
Dft Calculation ◽  
Boron Compounds ◽  
X Ray ◽  
Hypervalent Interaction

Synthesis, Characterization, X-Ray Structure, and Conformation DFT Calculation of a Carbohydrazide Derivative

2018 ◽  
Vol 49 (2) ◽  
pp. 92-97
Author(s):  
Marisol Ibarra-Rodríguez ◽  
Blanca M. Muñoz-Flores ◽  
Jesús Lara-Cerón ◽  
Rosa Santillán ◽  
María E. Ochoa ◽  
...  
Keyword(s):  
Dft Calculation ◽  
X Ray ◽  
Carbohydrazide Derivative

Structure of aqueous cesium metaborate solutions by X-ray scattering and DFT calculation

2018 ◽  
Vol 1160 ◽  
pp. 26-32 ◽  
Author(s):  
W.Q. Zhang ◽  
C.H. Fang ◽  
Y. Fang ◽  
F.Y. Zhu ◽  
Y.Q. Zhou ◽  
...  
Keyword(s):  
Dft Calculation ◽  
X Ray ◽  
X Ray Scattering ◽  
Ray Scattering

fac-Tricarbonyl rhenium(I) complexes of 2-(alkylthio)-N-((pyridine-2-yl)methylene)benzenamine: Synthesis, spectroscopic characterization, X-ray structure and DFT calculation

2013 ◽  
Vol 399 ◽  
pp. 138-145 ◽  
Author(s):  
Mahendra Sekhar Jana ◽  
Ajoy Kumar Pramanik ◽  
Subhankar Kundu ◽  
Deblina Sarkar ◽  
Tapan Kumar Mondal
Keyword(s):  
Dft Calculation ◽  
Spectroscopic Characterization ◽  
X Ray

Molecular structure of 4-hidroxy-3-(3-methyl-2-butenyl) acetophenone, a plant antifungal, by X-ray diffraction, DFT calculation, and NMR and FTIR spectroscopy

2013 ◽  
Vol 101 ◽  
pp. 196-203 ◽  
Author(s):  
Oscar Enrique Piro ◽  
Gustavo Alberto Echeverría ◽  
Emilio Lizarraga ◽  
Elida Romano ◽  
César Atilio Nazareno Catalán ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Ftir Spectroscopy ◽  
Dft Calculation ◽  
X Ray Diffraction ◽  
X Ray

scholarly journals Comments on DFT calculation, biological activity, anion sensing studies and crystal structure of (E)-4-chloro-2-((pyridin-2-ylimino)-methyl)phenol by Nuray Yıldırım, Neslihan Demir, Gökhan Alpaslan, Bahadir Boyacıoğlu, Mustafa Yıldız, and Huseyin Ünver, published in the Journal of the Serbian Chemical Society, volume 83, issue 6, 2018, pp. 707-721

2019 ◽  
Vol 84 (1) ◽  
pp. 111-116
Author(s):  
Marko Rodic
Keyword(s):  
Crystal Structure ◽  
Biological Activity ◽  
Dft Calculation ◽  
Structural Model ◽  
Chemical Society ◽  
Cambridge Crystallographic Data Centre ◽  
X Ray Diffraction ◽  
Anion Sensing ◽  
X Ray ◽  
Data Centre

The crystal structure of (E)-4-chloro-2-((pyridin-2-ylimino)-methyl)- phenol, recently published by Y?ld?r?m et al. in J. Serb. Chem. Soc. 83 (2018) 707?721, is revised. Refinement of the new structural model against original X-ray diffraction data, deposited with the Cambridge Crystallographic Data Centre, proved that the compound studied by single crystal X-ray diffraction was actually (E)-4-chloro-2-((pyridin-3-ylimino)methyl)phenol.

X-ray photoelectron spectroscopy of boron compounds

2005 ◽  
Vol 46 (3) ◽  
pp. 523-534 ◽  
Author(s):  
E. A. Il’inchik ◽  
V. V. Volkov ◽  
L. N. Mazalov
Keyword(s):  
Photoelectron Spectroscopy ◽  
Boron Compounds ◽  
X Ray
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