Ultrasound-Accelerated, Concise, and Highly Efficient Synthesis of 2-Oxazoline Derivatives Using Heterogenous Calcium Ferrite Nanoparticles and Their DFT Studies

Table 6

Calculated values of global reactivity descriptors.

Entry	IE	EA	η	μ	S	χ	ω	ΔNmax	ΔEback − donation
3a	0.2437	0.0497	0.0970	−0.1467	10.3093	0.1467	0.1109	1.5124	−0.0243
3b	0.2253	0.0390	0.0932	−0.1322	10.7354	0.1322	0.0937	1.4187	−0.0233
3c	0.2301	0.0413	0.0944	−0.1357	10.5904	0.1357	0.0975	1.4369	−0.0236
3d	0.2456	0.0599	0.0929	−0.1528	10.7701	0.1528	0.1256	1.6451	−0.0232
3e	0.2530	0.0218	0.1156	−0.1374	8.6505	0.1374	0.0817	1.1886	−0.0289
3f	0.2537	0.0613	0.0962	−0.1575	10.3950	0.1575	0.1289	1.6372	−0.0241
3g	0.2371	0.0562	0.0905	−0.1467	11.0558	0.1467	0.1189	1.6213	−0.0226
3h	0.2505	0.0096	0.1205	−0.1301	8.3022	0.1301	0.0702	1.0797	−0.0301
3i	0.2523	0.0028	0.1248	−0.1276	8.0160	0.1276	0.0652	1.0224	−0.0312
3j	0.2543	0.0027	0.1258	−0.1285	7.9501	0.1285	0.0657	1.0217	−0.0314