Theoretical investigations of 1,4-butanediol and 2-butene-1,4-diol cyclodehydration using postprocessing visualization of quantum chemical calculation data

Cyclodehydration of 1,4‐butanediol and 2‐butene‐1,4‐diol to the corresponding cyclic ethers was studied using the AM1 semiempirical method. It was established that the cyclodehydration reaction of 1,4‐butenediol and 2‐butene‐1,4‐diol is effected by converting of semicyclic conformers in the presence...

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Veröffentlicht in:	International journal of quantum chemistry 2002-06, Vol.88 (5), p.670-675
Hauptverfasser:	Fleisher, M., Stonkus, V., Leite, L., Lukevics, E.
Format:	Artikel
Sprache:	eng
Schlagworte:	1,4‐butanediol 2-butene-1 2‐butene‐1,4‐diol 4-butanediol 4-diol AM1 gas-phase cyclodehydration visualization
Online-Zugang:	Volltext
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