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AI Summary & Key Takeaways
AI Insight⚡ TL;DR(Too Long; Didn't Read)
The results show the Z isomer to be the most stable and intramolecular hydrogen-bonds contribute to the stability.
📌 3 Key Takeaways
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Objective & Hypothesis:The E/Z İsomerization of some simple enamines (H2NCH=CHR, R=NO2, CHO, CN, COCH3, COOH) has been investigated by means of quantum-chemical calculations at the HF level using 6-31G* and 6-31+G** basis sets.
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Key Findings & Data:The single- point MP2 calculations for electron correlation were accomplished for all configurations on the HF/6-31+G** optimized geometries.
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Conclusion & Impact:The results show the Z isomer to be the most stable and intramolecular hydrogen-bonds contribute to the stability.
🔬Design:Research Article
📍Scope:Comprehensive Sample
⚙️Variables:Domain Parameters
Abstract
The E/Z İsomerization of some simple enamines (H2NCH=CHR, R=NO2, CHO, CN, COCH3, COOH) has been investigated by means of quantum-chemical calculations at the HF level using 6-31G* and 6-31+G** basis sets. The single- point MP2 calculations for electron correlation were accomplished for all configurations on the HF/6-31+G** optimized geometries. The results show the Z isomer to be the most stable and intramolecular hydrogen-bonds contribute to the stability.
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Cite This Article
KARAKUŞ, N., YEKELER, H. (2022). Theoretical investigation of the E/Z isomerization and molecular geometries of enamines. Cumhuriyet Üniversitesi Fen-Edebiyat Fakültesi Fen Bilimleri Dergisi, Cilt: 21 - Sayı: 1, 137–145. https://ajindex.com/articles/480439