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Vibrational Spectra of 2-Formyl-3-(4-Hydroxy-1-methyl- 2-oxo-1,2-dihydro-quinolin-3-yl) 3-oxo-propionic acid (FHMQP): Combined Experimental and Theoretical Studies |
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PP: 1-7 |
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Author(s) |
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M. A. M. El-Mansy,
H. M. Hassanin,
M .A. Mostafa,
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Abstract |
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| Our results showed that FHMQP possesses a high dipole moment value of 9.3 Debye. FHMQP spin is doublet state which
enhances frontier molecular orbitals to split into alpha (spin ↑) and beta (spin ↓) molecular orbitals with two different energy gaps 4.2
and 2.9 eV, respectively. FHMQP is highly recommended to be a more promising structure for many applications in optoelectronic
devices such as solar cells. |
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