An investigation of molecular mechanism and the role of Te-bridged-atom in the formation of polysubstituted pyridines via Hetero-Diels–Alder reaction of isotellurazole with acetylenic dienophile: a molecular electron density study

An electron localization function (ELF) analysis and a detailed computational study of the hetero-Diels-Alder (HDA) reaction between isotellurazole and acetylenic dienophile have been performed. Then, B3LYP/Lanl2dz + 6-31+g(d) basis set level has been used to characterize the molecular mechanism and...

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Veröffentlicht in:	Journal of chemical sciences (Bangalore, India) India), 2018-08, Vol.130 (8), p.1-10, Article 102
1. Verfasser:	Benallou, Abdelilah
Format:	Artikel
Sprache:	eng
Schlagworte:	Activation Charge transfer Chemical synthesis Chemistry Chemistry and Materials Science Chemistry/Food Science Computation Cost analysis Cycloaddition Diels-Alder reactions Electron density Function analysis Localization Molecular chains Nuclei Organic chemistry Pyridines Quantum chemistry Regular Article Tellurium
Online-Zugang:	Volltext
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