Synthesis of Novel VO(II)-Perimidine Complexes: Spectral, Computational, and Antitumor Studies

Table 7

Considerable bond lengths, charges, dipole moment (D), oscillator strength (ʄ), and excitation energies (E).

Compound	O^19	N^11	N^15	N^16	C^18–O^19	C^12–N^11	C^14–N^15	N^15–N^16	V^1	V^2	D (Debye)	E (nm)	ʄ
L^1	−0.415473	−0.555221	−0.349927	−0.275635	1.224561	1.384229	1.287795	1.366391	—	—	5.1769	567.81	0.0316
L^1 + VO(II)	−0.410181	−0.282766	−0.316313	−0.248429	—	—	—	—	0.933201	0.929331	11.5667	16513.7	0.003
L^2	−0.410237	−0.555363	−0.348134	−0.275746	—	—	—	—	—	—	6.4963	576.26	0.0403
L^2 + VO(II)	−0.420038	−0.397120	−0.322648	−0.250261	—	—	—	—	0.927552	0.915069	3.5504	31387.7	0.0008
L^3	−0.416751	−0.044378	−0.050930	0.113237	1.317259	2.076019	1.772715	1.281712	—	—	5.3595	7613.39	0.002
L^3 + VO(II)	−0.414856	−0.387699	−0.320321	−0.254947					0.955124	0.952544	16.6899	17266.3	0.0032
L^4	−0.313357	−0.358945	−0.031267	−0.294059	1.223609	1.404653	1.286454	1.367672	—	—	4.4684	315.92	0.4055
L^4 + VO(II)	−0.410181	−0.282766	−0.316313	−0.248429	—	—	—	—	0.933201	0.929331	11.5667	16513.7	0.003
L^5	−0.354631	−0.480428	−0.209492	−0.312115	1.224058	1.384450	1.286411	1.367122	—	—	3.9661	600.17	0.043
L^5 + VO(II)	−0.405024	−0.408894	−0.304735	−0.210573	—	—	—	—	0.905245	0.730601	8.9706	20988.6	0.002