Quantum chemical and spectroscopic investigations of 5-aminoquinoline

Effect of positional substitution of amino group on excited state dipole moments of quinoline

“…If the ground and excited states are parallel, the following expressions are obtained on the basis of Eqs. (3) and (6) [9,46]:…”

Mahmoud, A. M.1; E. A. Ali1; Manal A. M. Hassan2* and Asmaa S. A. Sayed1 1 Department of Agronomy, Faculty of Agriculture, Assiut University, Assiut, 71526, Egypt 2 Food Science and Technology Department, Faculty of Agriculture, Assiut University, Assiut 71526, Egypt

“…Quinoline and its derivatives, as important naturally occurring compounds, are found in coal tar as well as bone oil and have biological and pharmaceutical effects [1][2][3][4][5][6][7][8][9], including antimalarial, antineoplastic, anticonvulsant, antibacterial, antifungal, anticancer, antiinflammatory, and analgesic activity [1][2][3][4][5][6]. For the last two decades, nitrogen-and oxygencontaining heterocyclic compounds have been attractive in biology due to their pharmaceutical action, mainly attributable to their ability to make hydrogen bonds.…”

Molecular structure of Zn (II) compound containing 8-hydroxyquinoline and 2-picoline ligands [I], theoretical HF and DFT studies [II]

“…43, 44 The C=C stretching vibrations are assigned at 1577, 1498 and 1428 cm -1 with strong, very strong and weak intensity, respectively. These bands are calculated as 1631.68, 1504.29 and 1453 cm -1 by HF and 1579.90, 1483.26 and 1430.62 cm -1 by DFT method, respectively.…”

“…Arjuna and co-workers have observed the C=C ring stretching vibration for the 7-bromo-5-chloro-8hydroxyquinoline and 5-aminoquinoline molecules in the range 1611 to 1412 cm -1. 43,44 The C=C stretching vibrations are assigned at 1577, 1498 and 1428 cm -1 with strong, very strong and weak intensity, respectively. These bands are calculated as 1631.68, 1504.29 and 1453 cm -1 by HF and 1579.90, 1483.26 and 1430.62 cm -1 by DFT method, respectively.…”