International Journal of Spectroscopy / 2009 / Article / Tab 2

Research Article

Calculation and Comparison of Energy Interaction and Intensity Parameters for the Interaction of Nd(III) with DL-Valine, DL-Alanine and -Alanine in Presence and Absence of / 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 ( × 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.

System4F3/24F5/24F7/24G5/24G7/2T2T4T6
( )( )( )( )( )

1. Solvent—Water
Ligand—DL-valine
Nd(III)0.53822.05752.48274.01310.77342.14380.62514.0570
(0.4198)(2.2038)(2.3536)(4.0129)(0.7751)
Nd(III): L0.40722.21702.68873.97980.84392.24940.32334.4939
(0.3676)(2.3319)(2.5857)(3.9899)(0.7101)
Nd(III) : L : Ca(II)0.36892.08852.51952.37750.66921.92060.20774.2545
(0.3219)(2.1773)(2.4404)(2.3823)(0.6071)
Nd(III) : L : Zn(II)0.40882.16812.63593.60580.85701.98890.38224.3838
(0.3761)(2.2927)(2.5239)(3.6189)(0.6862)
Ligand—DL-alanine
Nd(III) : L0.30561.92572.27943.33560.65791.92180.18013.8840
(0.2909)(1.9753)(2.2422)(3.3622)(0.5788)
Nd(III) : L : Ca(II)0.31211.97022.35723.04130.63581.73960.15384.0098
(0.2922)(2.0387)(2.2957)(3.0480)(0.5467)
Nd(III): L : Zn(II)0.30671.92062.26652.95330.62341.60440.33823.8197
(0.3288)(1.9985)(2.1973)(2.9565)(0.5808)
Ligand— -alanine
Nd(III) : L0.29051.89002.26773.31550.64171.93820.11743.8595
(0.2733)(1.9546)(2.2097)(3.3221)(0.5538)
Nd(III) : L : Ca(II)0.27671.86482.15832.98980.59881.70940.16903.7139
(0.2777)(1.8972)(2.1289)(2.9950)(0.5302)
Nd(III) : L : Zn(II)0.30791.96702.32333.14270.66851.78750.19713.9577
(0.3004)(2.0266)(2.2695)(3.1505)(0.5661)
2. Solvent—MeOH
Ligand—DL-valine
Nd(III)0.40411.96002.61434.00930.90132.32150.22794.2042
(0.3260)(2.1704)(2.4258)(4.0269)(0.6708)
Nd(III) : L0.42852.05212.69124.16270.92582.38880.28414.3440
(0.3497)(2.2567)(2.5081)(4.1793)(0.7088)
Nd(III) : L : Ca(II)0.42462.15912.68454.17440.82232.38950.28084.4329
(0.3544)(2.3001)(2.5588)(4.1827)(0.7131)
Nd(III) : L : Zn(II)0.42632.13972.62264.00710.80522.26760.33044.3399
(0.3616)(2.2681)(2.5081)(4.0145)(0.7074)
Ligand—DL-alanine
Nd(III) : L0.45541.98462.58973.97400.85452.24230.34664.1656
(0.3549)(2.1861)(2.4101)(3.9857)(0.6990)
Nd(III) : L : Ca(II)0.40902.06532.65223.83310.81262.20790.22314.3365
(0.3329)(2.2347)(2.5009)(3.8446)(0.6606)
Nd(III) : L : Zn(II)0.43552.04722.55383.84710.83472.14910.38444.1734
(0.3653)(2.2229)(2.2611)(3.8574)(0.6993)
Ligand— -alanine
Nd(III) : L0.40752.00112.64604.12900.87972.40390.20734.2797
(0.3252)(2.2015)(2.4668)(4.1442)(0.6801)
Nd(III) : L : Ca(II)0.40972.06612.74444.02240.85292.35550.14934.4521
(0.3206)(2.2702)(2.5620)(4.0369)(0.6630)
Nd(III) : L: Zn(II)0.42462.00052.61513.94670.88762.25480.29644.2217
(0.3450)(2.1983)(2.4382)(3.9620)(0.6865)
3. Solvent—MeCN
Ligand—DL-valine
Nd(III)0.46542.02112.54813.86510.63742.20050.26294.1849
(0.3341)(2.0906)(2.4163)(3.8631)(0.6645)
Nd(III) : L0.45332.07302.63963.91170.77192.17670.39134.1887
(0.3682)(2.2109)(2.4257)(3.9167)(0.7068)
Nd(III) : L : Ca(II)0.40562.12282.64913.82110.81602.17010.27064.3687
(0.3475)(2.2649)(2.5227)(3.8319)(0.6740)
Nd(III) : L : Zn(II)0.39882.11402.59793.81530.81132.156620.29794.3022
(0.3505)(2.2397)(2.4853)(3.8255)(0.6776)
Ligand—DL-alanine
Nd(III) : L0.48342.14272.70694.15690.84682.32640.39354.4049
(0.3824)(2.2505)(2.5021)(3.8295)(0.6742)
Nd(III) : L : Ca(II)0.42052.06682.54823.72270.67282.11750.24564.2303
(0.3321)(2.1883)(2.4408)(3.7245)(0.6491)
Nd(III) : L: Zn(II)0.44662.22842.69063.91670.84822.15780.42164.4549
(0.3930)(2.3528)(2.5795)(3.9256)(0.7308)
Ligand— -alanine
Nd(III) : L0.43552.01352.60274.04080.77372.32900.23794.2405
(0.3308)(2.1907)(2.4452)(4.0481)(0.6777)
Nd(III) : L : Ca(II)0.41792.12612.68664.01710.86292.28970.28394.4063
(0.3535)(2.2871)(2.5427)(4.0297)(0.6983)
Nd(III) : L: Zn(II)0.40092.02672.58263.83240.98012.13760.38844.1832
(0.3671)(2.2065)(2.4206)(3.8536)(0.6998)
4. Solvent—DMF
Ligand—DL-valine
Nd(III)0.30551.90172.60914.08100.47832.6337-0.39424.3484
(0.1700)(2.0571)(2.4723)(4.0790)(0.5045)
Nd(III) : L0.40411.93032.57154.37780.50222.7092-0.12454.2534
(0.2355)(2.0890)(2.4327)(4.3705)(0.6051)
Nd(III) : L : Ca(II)0.42232.13692.71004.59440.49472.8116-0.07464.5643
(0.2684)(2.2479)(2.6135)(4.5821)(0.6563)
Nd(III) : L : Zn(II)0.44292.04282.57274.41780.88042.51970.37814.2017
(0.3655)(2.2011)(2.4309)(4.4276)(0.7524)
Ligand—DL-alanine
Nd(III) : L0.34381.82812.61974.27020.77722.59390.00224.2575
(0.1322)(1.9717)(2.4075)(3.8322)(0.4428)
Nd(III) : L : Ca(II)0.47062.18702.74204.68320.95002.66180.41954.4819
(0.3942)(2.3526)(2.5931)(4.6942)(0.6473)
Nd(III) : L: Zn(II)0.46122.11652.62644.54280.94752.55630.46964.2905
(0.3954)(2.2722)(2.4865)(4.5543)(0.7953)
Ligand— -alanine
Nd(III) : L0.37871.88322.60234.12360.68362.5327-0.07384.2253
(0.2472)(2.0896)(2.4191)(4.1303)(0.5958)
Nd(III) : L : Ca(II)0.43142.09872.65594.69901.03862.77270.24224.1759
(0.3278)(2.1482)(2.4090)(4.7217)(0.7393)
Nd(III) : L: Zn(II)0.41982.04972.58984.60470.91372.66200.33074.2389
(0.3553)(2.2005)(2.4498)(4.6166)(0.7584)
5. Solvent—Dioxane
Ligand—DL-valine
Nd(III)0.38371.90972.71463.69470.55312.3115-0.23414.4073
(0.2162)(2.1350)(2.5155)(3.6973)(0.5182)
Nd(III) : L0.39671.92732.61503.92790.79722.32310.10134.2177
(0.2932)(2.1396)(2.4257)(3.9409)(0.6271)
Nd(III) : L : Ca(II)0.37921.99522.59423.88460.84732.25710.18714.2292
(0.3167)(2.1706)(2.4371)(3.8997)(0.6486)
Nd(III) : L : Zn(II)0.39221.90892.46513.70770.79062.12580.24214.0112
(0.3175)(2.0779)(2.3143)(3.7195)(0.6359)
Ligand—DL-alanine
Nd(III) : L0.40841.94722.51663.69400.71572.13120.19364.1102
(0.3108)(2.1129)(2.3693)(3.7009)(0.6254)
Nd(III) : L : Ca(II)0.40592.02372.52983.82910.84392.15550.33604.1444
(0.3507)(2.1723)(0.3968)(3.8415)(0.6814)
Nd(III) : L: Zn(II)0.40592.00712.46943.79840.83182.11970.37694.0579
(0.3561)(2.1410)(2.3495)(3.8095)(0.6854)
Ligand— -alanine
Nd(III) : L0.45191.98152.56613.98770.84152.25060.34914.1393
(0.3538)(2.1732)(2.3953)(3.9984)(6.9959)
Nd(III) : L : Ca(II)0.42692.01282.61993.97080.84572.27270.27054.2441
(0.3396)(2.2022)(2.4508)(3.9834)(0.6813)
Nd(III) : L: Zn(II)0.39741.97572.56303.87620.84332.22950.24084.1652
(0.3267)(2.1539)(2.4036)(3.8902)(0.6596)

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