1,3-İndandionun Farklı Çözücülerdeki Tautomer Oranlarının FT-IR ve Hesapsal Yöntemlerle Belirlenmesi

Abstract

1,3-indandionun tautomer oranları farklı çözücüler (CH3CN, C6H6, MeOH, THF, CCl4, CHCl, DCM) içerisinde, FT-IR ve hesapsal yöntemlerin birlikte kullanılmasıyla belirlenmiştir. Tüm çözücülerde keto tautomerin enol tautomerinden daha fazla olduğu tespit edilmiş olup, enol tautomerin en fazla DCM içerisinde (% 28) bulunduğu gözlenmiştir

Keywords

• 1,3-indandion, tautomerizasyon, DFT, enol

Determination of Relative Tautomer Ratios of 1,3-Indandione in Different Solvents by FT-IR and Computational Methods

Abstract

The tautomeric ratios of 1,3-indandione were determined in different solvents (CH3CN, C6H6, MeOH, THF, CCl4, CHCl3, DCM) by means of both experimental FT-IR and computational IR methods. It is found that the keto tautomer is more stable than enol tautomer in all solvents and DCM is the best solvent for the stabilization of enol tautomer (%28)

Keywords

• 1,3-indandione, tautomerization, DFT, enol

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