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[]
[{"$nulls":14},"Substituent effect on the basicity (pKa) of aryl guanidines and 2-(arylimino)imidazolidines: correlations of pH-metric and UV-metric values with predictions from gas-phase ab initio bond lengths"]
[{"$nulls":14},"C. Dardonville, B.A. Caine, M. Navarro de la Fuente, G. Martín Herranz, B. Corrales Mariblanca, P. L. A. Popelier "]
[{"$nulls":14},"New J. Chem. 2017, DOI: 10.1039/C7NJ02497E "]
[]
[]
[{"$nulls":14},"Reference:"]
[{"$nulls":14},"\"Rapid Determination of Ionization Constants (pKa) by UV Spectroscopy Using 96-Well Microtiter Plates”"]
[{"$nulls":14},"C.H. Ríos Martínez, C. Dardonville"]
[{"$nulls":14},"ACS Med. Chem. Lett.. 2013, 4, 142-145."]
[{"$nulls":14},"http://pubs.acs.org/articlesonrequest/AOR-TV3vU6DJ386KArNmw9jF"]
[{"$nulls":14},"http://hdl.handle.net/10261/82654"]
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[null,"(copy and paste the data for the analytical wavelengths) "]
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["(normalized to zero for λ = 500 nm)"]
[]
[]
["NORMALIZED DATA"]
["Wavelength",2.68,5.09,6.34,6.8,6.97,7.59,8.22,8.75,9.04,9.57,10.51,12.24]
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["SPECTRAL DIFFERENCE PLOT",null,"(the analytical wavelengths determined graphically are λmax = 380 nm and λmin = 290 nm)"]
["Wavelength",2.68,5.09,6.34,6.8,6.97,7.59,8.22,8.75,9.04,9.57,10.51,12.24]
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[452,0,0.0017599999999999907,0.0002500000000000002,0.008579999999999997,0.014510000000000002,0.03019999999999999,0.06861999999999999,0.05805,0.07411999999999999,0.08932000000000001,0.09919999999999998,0.09745999999999999]
[454,0,0.0027799999999999978,-0.000449999999999999,0.0077999999999999944,0.01362,0.027609999999999996,0.06244000000000001,0.05324,0.06725999999999999,0.08055000000000001,0.08915000000000001,0.08607000000000001]
[456,0,0.0022099999999999967,-0.00010999999999999899,0.007419999999999996,0.012319999999999998,0.024139999999999995,0.05389999999999999,0.04638,0.05933,0.07025,0.07840999999999998,0.07755000000000001]
[458,0,0.0020899999999999946,-0.0011500000000000052,0.006079999999999995,0.010239999999999999,0.02319999999999999,0.047060000000000005,0.041569999999999996,0.052169999999999994,0.06258,0.06988,0.06865000000000002]
[460,0,0.002449999999999994,-0.003160000000000003,0.0055699999999999986,0.009250000000000001,0.019499999999999997,0.04245000000000001,0.03814,0.044969999999999996,0.054389999999999994,0.06072000000000001,0.05914]
[462,0,0.0016099999999999864,-0.0023200000000000026,0.004859999999999996,0.008469999999999991,0.01748999999999999,0.038439999999999995,0.0324,0.040909999999999995,0.04896,0.05381999999999999,0.05373999999999999]
[464,0,0.0023199999999999957,-0.001469999999999999,0.004140000000000005,0.0078100000000000044,0.015309999999999997,0.03273,0.02839,0.03514,0.04216,0.046919999999999996,0.04637]
[466,0,0.001339999999999994,-0.003370000000000005,0.0035199999999999954,0.006619999999999994,0.012989999999999995,0.027889999999999998,0.02414,0.030139999999999993,0.03665999999999999,0.03978,0.04043]
[468,0,0.0012099999999999958,-0.0042200000000000015,0.0033100000000000004,0.0062399999999999956,0.011759999999999993,0.024760000000000004,0.02037,0.026250000000000002,0.03044999999999999,0.034929999999999996,0.03428999999999999]
[470,0,0.0014800000000000021,-0.003349999999999999,0.0032999999999999974,0.0059000000000000025,0.010759999999999992,0.021380000000000003,0.01800000000000001,0.02325,0.027319999999999997,0.029930000000000005,0.03037]
[472,0,0.0015999999999999973,-0.00451,0.003489999999999993,0.004969999999999995,0.008869999999999996,0.018119999999999997,0.01534,0.019819999999999997,0.023690000000000003,0.025580000000000006,0.026309999999999986]
[474,0,0.0017599999999999977,-0.002239999999999999,0.002799999999999997,0.004550000000000005,0.007399999999999997,0.015449999999999998,0.01381,0.01713,0.02031,0.022410000000000006,0.02182]
[476,0,0.00211999999999999,0.0011999999999999927,0.0033899999999999902,0.003609999999999995,0.007139999999999987,0.013549999999999986,0.011379999999999994,0.014269999999999991,0.017319999999999988,0.016209999999999995,0.01911999999999999]
[478,0,0.0016299999999999995,0.0010399999999999993,0.0023299999999999987,0.002349999999999998,0.005589999999999991,0.010170000000000005,0.009550000000000003,0.012529999999999993,0.014179999999999991,0.015630000000000005,0.016619999999999996]
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[482,0,0.0013099999999999987,0.0007100000000000023,0.002270000000000001,0.001240000000000005,0.004089999999999996,0.008129999999999998,0.0070300000000000085,0.008739999999999998,0.009369999999999996,0.011420000000000007,0.01052999999999999]
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[486,0,-0.003260000000000006,-0.0016700000000000048,-0.0025700000000000098,-0.0025200000000000014,-0.001580000000000005,0.0005599999999999911,-0.0002899999999999986,0.0015599999999999989,0.0023999999999999924,0.003349999999999999,0.003969999999999987]
[488,0,-0.0012900000000000064,-0.0013799999999999993,-0.0005400000000000058,-0.0007400000000000045,0.00028999999999999165,0.0016600000000000018,0.0017300000000000024,0.0026699999999999988,0.003369999999999998,0.0039900000000000005,0.004299999999999991]
[490,0,0.0007199999999999915,0.0007399999999999976,0.0008599999999999927,0.0006999999999999923,0.001669999999999991,0.002679999999999995,0.0020900000000000016,0.0036299999999999943,0.003999999999999997,0.004909999999999998,0.003349999999999992]
[492,0,0.0011999999999999927,0.0007099999999999954,0.0009299999999999933,0.0007399999999999976,0.0013899999999999885,0.0025099999999999983,0.0016499999999999987,0.0022899999999999934,0.0024899999999999922,0.002680000000000002,0.0033299999999999857]
[494,0,-0.014620000000000001,-0.014270000000000005,-0.013760000000000008,-0.014910000000000007,-0.013960000000000007,-0.013500000000000005,-0.013669999999999995,-0.012990000000000002,-0.01371,-0.012320000000000005,-0.012350000000000007]
[496,0,-0.008160000000000008,-0.008299999999999995,-0.008120000000000002,-0.008420000000000004,-0.007890000000000008,-0.007719999999999998,-0.007640000000000001,-0.007650000000000004,-0.007380000000000005,-0.006620000000000001,-0.008110000000000006]
[498,0,0.0019599999999999895,0.0019500000000000003,0.0022899999999999934,0.0016100000000000003,0.0020699999999999885,0.0019399999999999973,0.0014800000000000021,0.0021699999999999983,0.0021999999999999936,0.0022000000000000006,0.002029999999999997]
[500,0,0,0,0,0,0,0,0,0,0,0,0]
[]
[]
[]
[]
["Compound: "]
["(N-(3-chloro-4-nitrophenyl)-4,5-dihydro-1H-imidazol-2-amine acetate (13a)"]
[]
[]
[]
[]
[]
[null,"(copy and paste the data for the analytical wavelengths) "]
[null,null,"λmax","λmin"]
[null,"pH",380,290,"Absolute(λmax)","Absolute(λmin)","Sum = total absorbance"]
[null,2.68,0,0,0,0,0]
[null,5.09,0.006169999999999981,-0.010280000000000067,0.006169999999999981,0.010280000000000067,0.016450000000000048]
[null,6.34,0.023320000000000007,-0.06403000000000003,0.023320000000000007,0.06403000000000003,0.08735000000000004]
[null,6.8,0.06887999999999997,-0.03734999999999988,0.06887999999999997,0.03734999999999988,0.10622999999999985]
[null,6.97,0.12959,-0.06683000000000006,0.12959,0.06683000000000006,0.19642000000000007]
[null,7.59,0.29280999999999996,-0.13108999999999993,0.29280999999999996,0.13108999999999993,0.4238999999999999]
[null,8.22,0.6267099999999999,-0.26764,0.6267099999999999,0.26764,0.8943499999999999]
[null,8.75,0.5376700000000001,-0.31872999999999996,0.5376700000000001,0.31872999999999996,0.8564]
[null,9.04,0.6860600000000001,-0.37121000000000004,0.6860600000000001,0.37121000000000004,1.0572700000000002]
[null,9.57,0.8333899999999999,-0.41786999999999996,0.8333899999999999,0.41786999999999996,1.2512599999999998]
[null,10.51,0.9264600000000001,-0.41661,0.9264600000000001,0.41661,1.34307]
[null,12.24,0.8664799999999999,-0.46357999999999994,0.8664799999999999,0.46357999999999994,1.3300599999999998]