- Tytuł:
- Synthesis, spectral, molecular structure, HOMO-LUMO and NLO analysis of some (E)-N’-(3,3-dimethyl-2,6-diarylpiperidin-4-ylidene)-4-methoxybenzohydrazide
- Autorzy:
-
Sundaraselvan, G.
Quine, S. Darlin - Powiązania:
- https://bibliotekanauki.pl/articles/1192887.pdf
- Data publikacji:
- 2016
- Wydawca:
- Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
- Tematy:
-
C. Mutlur
Chidambaram - 608102
Department of Chemistry
Government Arts College
India - Opis:
- (E)-N’-(3,3-dimethyl-2,6-diarylpiperidin-4-ylidene)-4-methoxybenzohydrazide (DDMs) have been synthesized and their IR and 1H spectra were recorded. The optimized geometric parameters (bond lengths, bond angles and dihedral angles) were in good agreement with the corresponding experimental values. In addition, HOMO-LUMO, MEP and atomic charges of carbon, nitrogen and oxygen were calculated using B3LYP/6-311G(d,p) level theory. The polarizability and first order hyperpolarizability of the title molecule were calculated and interpreted.
- Źródło:
-
World Scientific News; 2016, 36; 27-46
2392-2192 - Pojawia się w:
- World Scientific News
- Dostawca treści:
- Biblioteka Nauki
Artykuł