Theoretical and experimental investigation of (E)-2-([3,4-dimethylphenyl)imino]methyl)-3-methoxyphenol: Enol–keto tautomerism, spectroscopic properties, NLO, NBO and NPA analysis

• A detailed interpretation of FT-IR spectra and the effect of various organic solvents with different polarities on the UV–vis spectra has been studied. • Mulliken population method, natural population analysis (NPA) and NBO were performed.

Gespeichert in:
Autor*in:

Demircioğlu, Zeynep [verfasserIn]

Albayrak, Çiğdem

Büyükgüngör, Orhan

Format:

E-Artikel

Sprache:

Englisch

Erschienen:

2014

Schlagwörter:

Natural bond analysis (NBO)

Nonlinear optical properties (NLO)

Mulliken electronegativity

Natural population analysis (NPA)

Density functional theory (DFT)

Umfang:

13

Übergeordnetes Werk:

Enthalten in: Artificial neural network modelling of amido black dye sorption on iron composite nano material: Kinetics and thermodynamics studies - Ali, Imran ELSEVIER, 2017, New York, NY [u.a.]

Übergeordnetes Werk:

volume:1065 ; year:2014 ; day:22 ; month:05 ; pages:210-222 ; extent:13

Links:

Volltext

DOI / URN:

10.1016/j.molstruc.2014.02.062

Katalog-ID:

ELV018077358

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