A Combined Experimental and Theoretical Investigation on the Molecular Structure, Ft-ir Spectra of 4-((1H-INDOL-3-YL) Methylene Amino) Phenol
نویسندگان
چکیده
This study involves the synthesis of title molecule 1H-IMAP, characterized by using FT-IR spectrum and theoretical calculation optimized geometrical parameters most stable structure 1H-IMAP computation its vibrational frequencies Hartree-Fock(HF) method basis sets 6-31G(d,p), HF/6-311G(d,p) Density functional theory (DFT) set B3LYP/6-31G(d,p) has been made Gaussion 03 software compared both experimental values. Non-Linear optical (NLO) properties was studied determining electric dipole moment, polarizability, hyperpolarizability with aid above mentioned sets.
منابع مشابه
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ژورنال
عنوان ژورنال: International Journal For Multidisciplinary Research
سال: 2023
ISSN: ['2582-2160']
DOI: https://doi.org/10.36948/ijfmr.2023.v05i04.5133