ChemInform Abstract: The 4-Chloro-2-oxo-1,3,5,5,8-pentamethyl-1,3,8-triaza-5-azonia-4λ5-phosphasp# iro(3.4)octyl Cation: X-Ray Crystal Structure Determination and Variable Temperature 1H NMR Spectra.

ChemInform ◽  
1990 ◽  
Vol 21 (42) ◽  
Author(s):  
T. KAUKORAT ◽  
L. ERNST ◽  
R. SCHMUTZLER ◽  
D. SCHOMBURG
Keyword(s):  
Crystal Structure ◽  
1H Nmr ◽  
Structure Determination ◽  
Nmr Spectra ◽  
Variable Temperature ◽  
1H Nmr Spectra ◽  
Crystal Structure Determination ◽  
X Ray

scholarly journals Synthesis of N,O-Chelating Hydrazidopalladium Complexes from 1,2-Bis(trifluoroacetyl)hydrazine

Inorganics ◽  
2021 ◽  
Vol 9 (10) ◽  
pp. 76
Author(s):  
Yoshihito Kayaki ◽  
Tomohiro Hayakawa ◽  
Takao Ikariya
Keyword(s):  
Crystal Structure ◽  
Structure Determination ◽  
Nmr Spectra ◽  
Structural Changes ◽  
Variable Temperature ◽  
Palladium Complexes ◽  
Electron Donors ◽  
Crystal Structure Determination ◽  
X Ray ◽  
Square Planar

N,O-chelating dicarbonylhydrazido-palladium complexes were synthesized by treatment of 1,2-bis(trifluoroacetyl)hydrazine with a mixture of a Pd(0) source, [Pd(dba)2] (DBA = dibenzylideneacetone), and four-electron donors including 1,3-bis(diphenylphosphino)propane (DPPP), N,N,N’,N’-tetramethylethylenediamine (TMEDA), and two equivalents of triphenylphosphine. The same products from DPPP and TMEDA could be obtained alternatively by using Pd(OAc)2 through deprotonation of the diacylhydrazine. The five-membered chelate structure was confirmed by NMR spectra and X-ray crystal structure determination. The X-ray structures indicate that the products are formally considered as Pd(II) complexes with a hydrazido(2–) ligand. In the case of the triphenylphosphine-coordinated complex, a fluxional behavior in dichloromethane-d2 was observed by variable temperature NMR experiments, possibly due to structural changes between the square planar and pseudo-tetrahedral geometries.

ChemInform Abstract: Comparison of Variable-Temperature 1H NMR Spectra of Five-Coordinate High-Spin (S = 5/2) Iron(III) Porphyrins and Chlorins

ChemInform ◽  
1988 ◽  
Vol 19 (36) ◽  
Author(s):  
M. J. PAWLIK ◽  
P. K. MILLER ◽  
E. P. JUN. SULLIVAN ◽  
M. A. LEVSTIK ◽  
D. A. ALMOND ◽  
...  
Keyword(s):  
1H Nmr ◽  
High Spin ◽  
Nmr Spectra ◽  
Variable Temperature ◽  
1H Nmr Spectra

New similarity index for crystal structure determination from X-ray powder diagrams

2005 ◽  
Vol 38 (6) ◽  
pp. 861-866 ◽  
Author(s):  
Detlef Walter Maria Hofmann ◽  
Ludmila Kuleshova
Keyword(s):  
Crystal Structure ◽  
Structure Determination ◽  
Structure Prediction ◽  
Similarity Index ◽  
Crystal Structure Determination ◽  
Crystal Structure Prediction ◽  
X Ray ◽  
Organic Pigments ◽  
Structure Solution ◽  
Similarity Indices

A new similarity index for automated comparison of powder diagrams is proposed. In contrast to traditionally used similarity indices, the proposed method is valid in cases of large deviations in the cell constants. The refinement according to this index closes the gap between crystal structure prediction and automated crystal structure determination. The opportunities of the new procedure have been demonstrated by crystal structure solution of un-indexed powder diagrams of some organic pigments (PY111, PR181 and Me-PR170).

Crystal structure determination of solar cell materials: Cu2ZnSnS4 thin films using X-ray anomalous dispersion

2012 ◽  
Vol 524 ◽  
pp. 22-25 ◽  
Author(s):  
Hiroshi Nozaki ◽  
Tatsuo Fukano ◽  
Shingo Ohta ◽  
Yoshiki Seno ◽  
Hironori Katagiri ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Thin Films ◽  
Solar Cell ◽  
Structure Determination ◽  
Anomalous Dispersion ◽  
Crystal Structure Determination ◽  
X Ray
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