Publications by authors named "C Wentrup"

The "sweet spirits" of sulfuric, nitric, and hydrochloric acids, viz. diethyl ether, ethyl nitrite, and chloroethane, have a history dating back to the late Middle Ages. The compound variously known as philosophorum spiritus vini, aqua Lulliana, Paracelsus' Schwefel süss, Cordus' dulce Vitrioli oleum, and Frobenius' æther is identical with diethyl ether.

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The formation and rearrangements of nitrile imines are of ongoing synthetic and theoretical interest. In this paper, we report a computational investigation at the M06/6-311 + G(d,p) level of the formation and rearrangement of propargylic phenylstyrylnitrile imine from 2-phenyl-5-styryltetrazole by flash vacuum pyrolysis (FVP). Nitrile imine cyclizes to 3a-3-styrylindazole , which is also generated by H-shifts in the FVP of 3-styrylindazole .

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The alchemical concepts of chemical symbolism, nomenclature, and affinity underwent fundamental changes between the 1770s and the 1820s, roughly simultaneously with the Chemical Revolution (ca. 1772-89), i. e.

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Flash vacuum pyrolysis (FVP) of pyrazoles and indazoles constitutes a valuable route to carbenes and nitrenes. In this study, we employed M062X and CCSD(T) calculations to provide a mechanistic rationale for the formation of fulvenallene and fluorenes from indazoles and the corresponding formation of azafulvenallene , cyanocyclopentadiene , and azafluorenes, e.g.

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Fulminic and cyanic acids played a decisive role in the conception of isomerism 200 years ago. Cyanic (HOCN), isocyanic (HNCO), and fulminic (HCNO) acids have been detected in several interstellar sources, but isofulminic acid (HONC) is little known. Here we examine the interrelationships between the four acids and formylnitrene, HC(O)N, at the CASPT2 and three DFT levels.

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