scholarly journals Minima hopping guided path search: An efficient method for finding complex chemical reaction pathways

2014 ◽  
Vol 140 (21) ◽  
pp. 214102 ◽  
Author(s):  
Bastian Schaefer ◽  
Stephan Mohr ◽  
Maximilian Amsler ◽  
Stefan Goedecker
Keyword(s):  
Chemical Reaction ◽  
Efficient Method ◽  
Reaction Pathways ◽  
Complex Chemical ◽  
Complex Chemical Reaction ◽  
Path Search

Diin-Reaktion, 431 Synthese und komplexchemische Umsetzung von 1.2.4.5-Tetra(phenylpropinoyl)-benzol / Diin Reaction, 431 Synthesis and Complex-chemical Reaction of 1,2,4,5-Tetra(phenylpropynoyl)-benzene

1977 ◽  
Vol 32 (1) ◽  
pp. 68-71 ◽  
Author(s):  
Jürgen Hambrecht ◽  
Eugen Müller
Keyword(s):  
Chemical Reaction ◽  
Complex Chemical ◽  
Subsequent Oxidation ◽  
Complex Chemical Reaction ◽  
Grignard Addition

The Grignard-addition of phenylethynylmagnesium bromide to 1,2,4,5-tetraformylbenzene (1) and the subsequent oxidation of the primary formed alcohol (2) afford the l,2,4,5-tetra(phenylpropynoyl)benzene (8). The reaction of 8 with tris(triphenylphosphin)-rhodium-(I)chloride leads to the Rh-complex (4), which further reacts with acetylenederivates and chalcogens to form the quinoid compounds 5a-c and 6, 7.

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