Calculation and Comparison of Energy Interaction and Intensity Parameters for the Interaction of Nd(III) with DL-Valine, DL-Alanine and 𝛽-Alanine in Presence and Absence of Ca²⁺/Zn²⁺ in Aqueous and Different Aquated Organic Solvents Using 4f-4f Transition Spectra as Probe

Table 2

Observed and computed values of oscillator strengths (P × 10⁶ ) and Judd-Ofelt (𝑇_𝜆× 10¹⁰) parameters for Nd(III), Nd(III) : amino acid (1 : 1), Nd(III) : amino acid : Ca(II) (1 : 1 : 1), and Nd(III) : amino acid : Zn(II) (1 : 1 : 1) in aqueous and different aquated organic solvents (50 : 50) at pH4.

System	^4F3/2	^4F5/2	^4F7/2	^4G5/2	^4G7/2	T2	T4	T6
	Pobs	Pobs	Pobs	Pobs	Pobs
	(Pcal)	(Pcal)	(Pcal)	(Pcal)	(Pcal)
1. Solvent—Water
Ligand—DL-valine
Nd(III)	0.5382	2.0575	2.4827	4.0131	0.7734	2.1438	0.6251	4.0570
	(0.4198)	(2.2038)	(2.3536)	(4.0129)	(0.7751)
Nd(III): L	0.4072	2.2170	2.6887	3.9798	0.8439	2.2494	0.3233	4.4939
	(0.3676)	(2.3319)	(2.5857)	(3.9899)	(0.7101)
Nd(III) : L : Ca(II)	0.3689	2.0885	2.5195	2.3775	0.6692	1.9206	0.2077	4.2545
	(0.3219)	(2.1773)	(2.4404)	(2.3823)	(0.6071)
Nd(III) : L : Zn(II)	0.4088	2.1681	2.6359	3.6058	0.8570	1.9889	0.3822	4.3838
	(0.3761)	(2.2927)	(2.5239)	(3.6189)	(0.6862)
Ligand—DL-alanine
Nd(III) : L	0.3056	1.9257	2.2794	3.3356	0.6579	1.9218	0.1801	3.8840
	(0.2909)	(1.9753)	(2.2422)	(3.3622)	(0.5788)
Nd(III) : L : Ca(II)	0.3121	1.9702	2.3572	3.0413	0.6358	1.7396	0.1538	4.0098
	(0.2922)	(2.0387)	(2.2957)	(3.0480)	(0.5467)
Nd(III): L : Zn(II)	0.3067	1.9206	2.2665	2.9533	0.6234	1.6044	0.3382	3.8197
	(0.3288)	(1.9985)	(2.1973)	(2.9565)	(0.5808)
Ligand— 𝛽-alanine
Nd(III) : L	0.2905	1.8900	2.2677	3.3155	0.6417	1.9382	0.1174	3.8595
	(0.2733)	(1.9546)	(2.2097)	(3.3221)	(0.5538)
Nd(III) : L : Ca(II)	0.2767	1.8648	2.1583	2.9898	0.5988	1.7094	0.1690	3.7139
	(0.2777)	(1.8972)	(2.1289)	(2.9950)	(0.5302)
Nd(III) : L : Zn(II)	0.3079	1.9670	2.3233	3.1427	0.6685	1.7875	0.1971	3.9577
	(0.3004)	(2.0266)	(2.2695)	(3.1505)	(0.5661)
2. Solvent—MeOH
Ligand—DL-valine
Nd(III)	0.4041	1.9600	2.6143	4.0093	0.9013	2.3215	0.2279	4.2042
	(0.3260)	(2.1704)	(2.4258)	(4.0269)	(0.6708)
Nd(III) : L	0.4285	2.0521	2.6912	4.1627	0.9258	2.3888	0.2841	4.3440
	(0.3497)	(2.2567)	(2.5081)	(4.1793)	(0.7088)
Nd(III) : L : Ca(II)	0.4246	2.1591	2.6845	4.1744	0.8223	2.3895	0.2808	4.4329
	(0.3544)	(2.3001)	(2.5588)	(4.1827)	(0.7131)
Nd(III) : L : Zn(II)	0.4263	2.1397	2.6226	4.0071	0.8052	2.2676	0.3304	4.3399
	(0.3616)	(2.2681)	(2.5081)	(4.0145)	(0.7074)
Ligand—DL-alanine
Nd(III) : L	0.4554	1.9846	2.5897	3.9740	0.8545	2.2423	0.3466	4.1656
	(0.3549)	(2.1861)	(2.4101)	(3.9857)	(0.6990)
Nd(III) : L : Ca(II)	0.4090	2.0653	2.6522	3.8331	0.8126	2.2079	0.2231	4.3365
	(0.3329)	(2.2347)	(2.5009)	(3.8446)	(0.6606)
Nd(III) : L : Zn(II)	0.4355	2.0472	2.5538	3.8471	0.8347	2.1491	0.3844	4.1734
	(0.3653)	(2.2229)	(2.2611)	(3.8574)	(0.6993)
Ligand— 𝛽-alanine
Nd(III) : L	0.4075	2.0011	2.6460	4.1290	0.8797	2.4039	0.2073	4.2797
	(0.3252)	(2.2015)	(2.4668)	(4.1442)	(0.6801)
Nd(III) : L : Ca(II)	0.4097	2.0661	2.7444	4.0224	0.8529	2.3555	0.1493	4.4521
	(0.3206)	(2.2702)	(2.5620)	(4.0369)	(0.6630)
Nd(III) : L: Zn(II)	0.4246	2.0005	2.6151	3.9467	0.8876	2.2548	0.2964	4.2217
	(0.3450)	(2.1983)	(2.4382)	(3.9620)	(0.6865)
3. Solvent—MeCN
Ligand—DL-valine
Nd(III)	0.4654	2.0211	2.5481	3.8651	0.6374	2.2005	0.2629	4.1849
	(0.3341)	(2.0906)	(2.4163)	(3.8631)	(0.6645)
Nd(III) : L	0.4533	2.0730	2.6396	3.9117	0.7719	2.1767	0.3913	4.1887
	(0.3682)	(2.2109)	(2.4257)	(3.9167)	(0.7068)
Nd(III) : L : Ca(II)	0.4056	2.1228	2.6491	3.8211	0.8160	2.1701	0.2706	4.3687
	(0.3475)	(2.2649)	(2.5227)	(3.8319)	(0.6740)
Nd(III) : L : Zn(II)	0.3988	2.1140	2.5979	3.8153	0.8113	2.15662	0.2979	4.3022
	(0.3505)	(2.2397)	(2.4853)	(3.8255)	(0.6776)
Ligand—DL-alanine
Nd(III) : L	0.4834	2.1427	2.7069	4.1569	0.8468	2.3264	0.3935	4.4049
	(0.3824)	(2.2505)	(2.5021)	(3.8295)	(0.6742)
Nd(III) : L : Ca(II)	0.4205	2.0668	2.5482	3.7227	0.6728	2.1175	0.2456	4.2303
	(0.3321)	(2.1883)	(2.4408)	(3.7245)	(0.6491)
Nd(III) : L: Zn(II)	0.4466	2.2284	2.6906	3.9167	0.8482	2.1578	0.4216	4.4549
	(0.3930)	(2.3528)	(2.5795)	(3.9256)	(0.7308)
Ligand— 𝛽-alanine
Nd(III) : L	0.4355	2.0135	2.6027	4.0408	0.7737	2.3290	0.2379	4.2405
	(0.3308)	(2.1907)	(2.4452)	(4.0481)	(0.6777)
Nd(III) : L : Ca(II)	0.4179	2.1261	2.6866	4.0171	0.8629	2.2897	0.2839	4.4063
	(0.3535)	(2.2871)	(2.5427)	(4.0297)	(0.6983)
Nd(III) : L: Zn(II)	0.4009	2.0267	2.5826	3.8324	0.9801	2.1376	0.3884	4.1832
	(0.3671)	(2.2065)	(2.4206)	(3.8536)	(0.6998)
4. Solvent—DMF
Ligand—DL-valine
Nd(III)	0.3055	1.9017	2.6091	4.0810	0.4783	2.6337	-0.3942	4.3484
	(0.1700)	(2.0571)	(2.4723)	(4.0790)	(0.5045)
Nd(III) : L	0.4041	1.9303	2.5715	4.3778	0.5022	2.7092	-0.1245	4.2534
	(0.2355)	(2.0890)	(2.4327)	(4.3705)	(0.6051)
Nd(III) : L : Ca(II)	0.4223	2.1369	2.7100	4.5944	0.4947	2.8116	-0.0746	4.5643
	(0.2684)	(2.2479)	(2.6135)	(4.5821)	(0.6563)
Nd(III) : L : Zn(II)	0.4429	2.0428	2.5727	4.4178	0.8804	2.5197	0.3781	4.2017
	(0.3655)	(2.2011)	(2.4309)	(4.4276)	(0.7524)
Ligand—DL-alanine
Nd(III) : L	0.3438	1.8281	2.6197	4.2702	0.7772	2.5939	0.0022	4.2575
	(0.1322)	(1.9717)	(2.4075)	(3.8322)	(0.4428)
Nd(III) : L : Ca(II)	0.4706	2.1870	2.7420	4.6832	0.9500	2.6618	0.4195	4.4819
	(0.3942)	(2.3526)	(2.5931)	(4.6942)	(0.6473)
Nd(III) : L: Zn(II)	0.4612	2.1165	2.6264	4.5428	0.9475	2.5563	0.4696	4.2905
	(0.3954)	(2.2722)	(2.4865)	(4.5543)	(0.7953)
Ligand— 𝛽-alanine
Nd(III) : L	0.3787	1.8832	2.6023	4.1236	0.6836	2.5327	-0.0738	4.2253
	(0.2472)	(2.0896)	(2.4191)	(4.1303)	(0.5958)
Nd(III) : L : Ca(II)	0.4314	2.0987	2.6559	4.6990	1.0386	2.7727	0.2422	4.1759
	(0.3278)	(2.1482)	(2.4090)	(4.7217)	(0.7393)
Nd(III) : L: Zn(II)	0.4198	2.0497	2.5898	4.6047	0.9137	2.6620	0.3307	4.2389
	(0.3553)	(2.2005)	(2.4498)	(4.6166)	(0.7584)
5. Solvent—Dioxane
Ligand—DL-valine
Nd(III)	0.3837	1.9097	2.7146	3.6947	0.5531	2.3115	-0.2341	4.4073
	(0.2162)	(2.1350)	(2.5155)	(3.6973)	(0.5182)
Nd(III) : L	0.3967	1.9273	2.6150	3.9279	0.7972	2.3231	0.1013	4.2177
	(0.2932)	(2.1396)	(2.4257)	(3.9409)	(0.6271)
Nd(III) : L : Ca(II)	0.3792	1.9952	2.5942	3.8846	0.8473	2.2571	0.1871	4.2292
	(0.3167)	(2.1706)	(2.4371)	(3.8997)	(0.6486)
Nd(III) : L : Zn(II)	0.3922	1.9089	2.4651	3.7077	0.7906	2.1258	0.2421	4.0112
	(0.3175)	(2.0779)	(2.3143)	(3.7195)	(0.6359)
Ligand—DL-alanine
Nd(III) : L	0.4084	1.9472	2.5166	3.6940	0.7157	2.1312	0.1936	4.1102
	(0.3108)	(2.1129)	(2.3693)	(3.7009)	(0.6254)
Nd(III) : L : Ca(II)	0.4059	2.0237	2.5298	3.8291	0.8439	2.1555	0.3360	4.1444
	(0.3507)	(2.1723)	(0.3968)	(3.8415)	(0.6814)
Nd(III) : L: Zn(II)	0.4059	2.0071	2.4694	3.7984	0.8318	2.1197	0.3769	4.0579
	(0.3561)	(2.1410)	(2.3495)	(3.8095)	(0.6854)
Ligand— 𝛽-alanine
Nd(III) : L	0.4519	1.9815	2.5661	3.9877	0.8415	2.2506	0.3491	4.1393
	(0.3538)	(2.1732)	(2.3953)	(3.9984)	(6.9959)
Nd(III) : L : Ca(II)	0.4269	2.0128	2.6199	3.9708	0.8457	2.2727	0.2705	4.2441
	(0.3396)	(2.2022)	(2.4508)	(3.9834)	(0.6813)
Nd(III) : L: Zn(II)	0.3974	1.9757	2.5630	3.8762	0.8433	2.2295	0.2408	4.1652
	(0.3267)	(2.1539)	(2.4036)	(3.8902)	(0.6596)