Synthesis, spectroscopic, molecular and computational structure characterizations of (E)-2-ethoxy-6-[(phenylimino)methyl]phenol

Experimental and computational studies on zwitterionic (E)-2-(1-(2-(4-methylphenylsulfonamido)ethyliminio)ethyl) phenolate

“…While the C2-O1 bond is of a double bond for the keto-amine tautomer, this bond displays single bond character in phenol-imine tautomer. In addition, the C7-N1 bond is also a double bond in phenol-imine tautomer and of single bond length in keto-amine tautomer [49,50]. However, these bond distances have intermediate values between single and double C-O (1.362 and 1.222 Å , respectively) and C-N (1.339 and 1.279 Å , respectively) bond distance [51].…”

Spectroscopic, molecular structure characterizations and quantum chemical computational studies of (E)-5-(diethylamino)-2-[(2-fluorophenylimino)methyl]phenol

“…The energy gap between HOMO and LUMO of title compound is 3.75 eV for gas phase. The energy gap between HOMO and LUMO of title compound is smaller than that of related compounds [28,30]. This result indicates that title compound is more polarizable, more reactive and more soft molecule than related compound.…”

“…Absorption band of title compound is at 380 nm. The decrease of the energy gap between HOMO and LUMO shows that title compound has a smaller energy gap than related compounds [28,30] and as a result of this, absorption band is shifted toward the visible. These results show that title compound can be used as a good nonlinear optical material.…”

Structural Diversity on Copper(I) Schiff Base Complexes

“…They are of the general formula R1R2C=N-R3, where R3 is an aryl or alkyl group that makes the Schiff base a stable imine. Schiff base compounds can be synthesized from an amine and a carbonyl compound by nucleophilic addition, followed by a dehydration to generate an imine [9][10][11][12][13][14][15], and are broadly classified as bidnetate and bis-bidentate Schiff bases.…”

“…The bridging SCN anion is almost linear with S-C-N bond angle of 179.4(2) o . (14), respectively (Scheme 24). Single crystals of 13 and 14, were grown by slow diffusion of n-hexane into a dilute dichloromethane solution of the complexes [46].…”