##TITLE= Chromium(III) spectra
##JCAMP-DX= 4.24
##DATA TYPE= LINK
##BLOCKS= 11
##TITLE= Potassium Chrome Alum
##JCAMP-DX= 5.01
##DATA TYPE= UV/VIS SPECTRUM
##DATA CLASS= XYDATA
##ORIGIN= Chemistry Department, UWI, JAMAICA
##OWNER= Prof Robert J. Lancashire
##DATE= 02/07/10
##TIME= 09:26:13.00
##BLOCK_ID= 1
##RESOLUTION= 1.000000
##SPECTROMETER/DATA SYSTEM= PERKIN-ELMER LAMBDA 19 UV/VIS/NIR UV
##$MODELS=
<Models>
<ModelData id="alum" type="MOL">
"Cr(D2O)6"
RLRasMol  02069708023D
http://wwwchem.uwimona.edu.jm/
 19 18  0        0              1 V2000
    0.0000    0.0000    0.0000 Cr  0  0  0  0  0  0  0  0  0  0  0  0
    1.2680    0.4000   -1.5960 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0920   -2.3240   -0.5440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6400    0.2200   -1.2120 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8480    0.6560   -2.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0600    0.9560   -1.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -2.9560    0.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9800   -2.6080   -0.8080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1840   -0.5800   -1.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2560    0.9680   -1.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2680   -0.4000    1.5960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0920    2.3240    0.5440 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6400   -0.2200    1.2120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8480   -0.6560    2.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0600   -0.9560    1.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    2.9560   -0.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9800    2.6080    0.8080 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1840    0.5800    1.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2560   -0.9680    1.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
 19 13  1  0
 18 13  1  0
 17 12  1  0
 16 12  1  0
 15 11  1  0
 14 11  1  0
 13  1  1  0
 12  1  1  0
 11  1  1  0
 10  4  1  0
  9  4  1  0
  8  3  1  0
  7  3  1  0
  6  2  1  0
  5  2  1  0
  4  1  1  0
  3  1  1  0
  2  1  1  0
M  END
</ModelData>
</Models>
##$PEAKS=
<Peaks type="UV-Vis" xUnitsExpected="nm"  >
<PeakData id="1" title="Spin Forbidden Band ~672nm" peakShape="singlet" model="alum" xMax="680" xMin="650"    />
<PeakData id="2" title="Spin Allowed - delta ~574nm" peakShape="singlet" model="alum" xMax="600" xMin="540"    />
<PeakData id="3" title="Spin Allowed ~ 406nm" peakShape="singlet" model="alum" xMax="440" xMin="380"    />
</Peaks>
##XUNITS= NANOMETERS
##YUNITS= ABSORBANCE
##XFACTOR= 3.8E-4
##YFACTOR= 5.08327007E-7
##FIRSTX= 320
##FIRSTY= 0.2430681
##LASTX= 700
##NPOINTS= 381
##XYDATA= (X++(Y..Y))
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1834211A46323k280A41838
1842105A39682  $$checkpoint
##END=
##TITLE= [Cr(H2O)4Cl2]Cl
##JCAMP-DX= 4.24
##DATA TYPE= UV/VIS SPECTRUM
##DATA CLASS= XYDATA
##ORIGIN= Chemistry Department, UWI, JAMAICA
##OWNER= Prof Robert J. Lancashire
##DATE= 02/07/10
##TIME= 09:40:24.00
##BLOCK_ID= 2
##RESOLUTION= 1.000000
##SPECTROMETER/DATA SYSTEM= PERKIN-ELMER LAMBDA 19 UV/VIS/NIR UV
##$MODELS=
<Models>
<ModelData id="cl2aq" type="MOL">
[CrCl2(H2O)4]+
  ACD/Labs1009020949  

 15 14  0  0  0  0  0  0  0  0  2 V2000
   10.6907   -9.5000    0.0000 Cr  0  0  0  0  0  0  0  0  0  0  0  0
   11.9587   -9.1000   -1.5960 O   0  3  0  0  0  0  0  0  0  0  0  0
   10.7827  -11.8240   -0.5440 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.0507   -9.2800   -1.2120 O   0  3  0  0  0  0  0  0  0  0  0  0
   11.5387   -8.8440   -2.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7507   -8.5440   -1.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5067  -10.0800   -1.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4347   -8.5320   -1.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4227   -9.9000    1.5960 O   0  3  0  0  0  0  0  0  0  0  0  0
   10.5987   -7.1760    0.5440 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.3307   -9.7200    1.2120 O   0  3  0  0  0  0  0  0  0  0  0  0
    9.8427  -10.1560    2.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6307  -10.4560    1.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8747   -8.9200    1.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9467  -10.4680    1.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
 15 11  1  0  0  0  0
 14 11  1  0  0  0  0
 13  9  1  0  0  0  0
 12  9  1  0  0  0  0
 11  1  1  0  0  0  0
 10  1  1  0  0  0  0
  9  1  1  0  0  0  0
  8  4  1  0  0  0  0
  7  4  1  0  0  0  0
  6  2  1  0  0  0  0
  5  2  1  0  0  0  0
  4  1  1  0  0  0  0
  3  1  1  0  0  0  0
  2  1  1  0  0  0  0
M  CHG  4   2   1   4   1   9   1  11   1
M  END
</ModelData>
</Models>
##$PEAKS=
<Peaks type="UV-Vis" xUnitsExpected="nm"  >
<PeakData id="1" title="Spin Forbidden Band ~693nm" peakShape="singlet" model="cl2aq" xMax="700" xMin="680"    />
<PeakData id="2" title="Spin Allowed - delta ~635nm" peakShape="singlet" model="cl2aq" xMax="665" xMin="605"    />
<PeakData id="3" title="Spin Allowed ~ 445nm" peakShape="singlet" model="cl2aq" xMax="475" xMin="415"    />
</Peaks>
##XUNITS= NANOMETERS
##YUNITS= ABSORBANCE
##XFACTOR= 3.8E-4
##YFACTOR= 9.13411975E-7
##FIRSTX= 320
##FIRSTY= 0.041677
##LASTX= 700
##NPOINTS= 381
##XYDATA= (X++(Y..Y))
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1826316F07194j0348j1280j1999j2568E47944
1842105E34447  $$checkpoint
##END=
##TITLE= cis-[Cr(en)2Cl2]Cl
##JCAMP-DX= 5.0
##DATA TYPE= UV/VIS SPECTRUM
##DATA CLASS= XYDATA
##ORIGIN= Chemistry Department, UWI, JAMAICA
##OWNER= Prof Robert J. Lancashire
##DATE= 02/07/04
##TIME= 10:00:16.00
##BLOCK_ID= 3
##RESOLUTION= 1.000000
##SPECTROMETER/DATA SYSTEM= PERKIN-ELMER LAMBDA 19 UV/VIS/NIR UV
##$MODELS=
<Models>
<ModelData id="cisen" type="MOL">
cis-CrCl2(en)2 - CEAMCR
RLViewerPro         3D                             0

 27 28  0  0  0  0  0  0  0  0999 V2000
    1.3931    2.0626    3.2033 Cl  0  0  0  0  0  0  0  0  0  1
    1.8891    0.7331    0.1946 Cl  0  0  0  0  0  0  0  0  0  2
    4.7965   -0.6690    2.2868 C   0  0  0  0  0  0  0  0  0  6
   -0.1481   -1.5721    3.4981 C   0  0  0  0  0  0  0  0  0  7
    4.1564   -1.5667    1.2213 C   0  0  0  0  0  0  0  0  0  8
    0.5534   -1.0046    4.7327 C   0  0  0  0  0  0  0  0  0  9
    4.1644    1.2151    1.7084 H   0  0  0  0  0  0  0  0  0 10
    4.9004   -1.2076    3.2267 H   0  0  0  0  0  0  0  0  0 11
    4.1664    0.9704    3.3724 H   0  0  0  0  0  0  0  0  0 12
    5.8024   -0.3858    1.9320 H   0  0  0  0  0  0  0  0  0 13
   -0.6189    0.1774    2.5037 H   0  0  0  0  0  0  0  0  0 14
    0.3119   -2.5350    3.2222 H   0  0  0  0  0  0  0  0  0 15
   -0.2129   -1.0922    1.4782 H   0  0  0  0  0  0  0  0  0 16
   -1.2051   -1.7334    3.6961 H   0  0  0  0  0  0  0  0  0 17
    2.6711   -2.5157    2.3691 H   0  0  0  0  0  0  0  0  0 18
    4.1965   -1.0826    0.2814 H   0  0  0  0  0  0  0  0  0 19
    2.1843   -2.0765    0.8209 H   0  0  0  0  0  0  0  0  0 20
    4.6763   -2.5179    1.2190 H   0  0  0  0  0  0  0  0  0 21
    2.5312   -1.6276    4.3723 H   0  0  0  0  0  0  0  0  0 22
    0.0713   -0.0834    5.0664 H   0  0  0  0  0  0  0  0  0 23
    2.4218   -0.0609    4.9729 H   0  0  0  0  0  0  0  0  0 24
    0.5146   -1.7324    5.5691 H   0  0  0  0  0  0  0  0  0 25
    3.9704    0.5386    2.4503 N   0  0  0  0  0  0  0  0  0 26
    0.0312   -0.6391    2.3780 N   0  0  0  0  0  0  0  0  0 27
    2.7146   -1.7655    1.6328 N   0  0  0  0  0  0  0  0  0 28
    1.9912   -0.7545    4.3034 N   0  0  0  0  0  0  0  0  0 29
    1.9990    0.0000    2.3813 Cr  0  0  0  0  0  0  0  0  0 30
  1 27  1  0  0  0
  2 27  1  0  0  0
  3  5  1  0  0  0
  3  8  1  0  0  0
  3 10  1  0  0  0
  3 23  1  0  0  0
  4  6  1  0  0  0
  4 12  1  0  0  0
  4 14  1  0  0  0
  4 24  1  0  0  0
  5 16  1  0  0  0
  5 18  1  0  0  0
  5 25  1  0  0  0
  6 20  1  0  0  0
  6 22  1  0  0  0
  6 26  1  0  0  0
  7 23  1  0  0  0
  9 23  1  0  0  0
 11 24  1  0  0  0
 13 24  1  0  0  0
 15 25  1  0  0  0
 17 25  1  0  0  0
 19 26  1  0  0  0
 21 26  1  0  0  0
 23 27  1  0  0  0
 24 27  1  0  0  0
 25 27  1  0  0  0
 26 27  1  0  0  0
M  END
</ModelData>
</Models>
##$PEAKS=
<Peaks type="UV-Vis" xUnitsExpected="nm"  >
<PeakData id="1" title="Spin Allowed - delta ~520nm" peakShape="singlet" model="cisen"  xMax="560" xMin="480"    />
<PeakData id="2" title="Spin Allowed ~ 392nm" peakShape="singlet" model="cisen" xMax="430" xMin="370"    />
</Peaks>
##XUNITS= NANOMETERS
##YUNITS= ABSORBANCE
##XFACTOR= 6.5E-4
##YFACTOR= 6.83264136E-7
##FIRSTX= 350
##FIRSTY= 0.2514379
##LASTX= 1000
##NPOINTS= 651
##XYDATA= (X++(Y..Y))
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1538462A8464  $$checkpoint
##END=
##TITLE= [Cr(en)3]Cl3
##JCAMP-DX= 5.0
##DATA TYPE= UV/VIS SPECTRUM
##DATA CLASS= XYDATA
##ORIGIN= Chemistry Department, UWI, JAMAICA
##OWNER= Prof Robert J. Lancashire
##DATE= 02/07/01
##TIME= 10:23:35.00
##BLOCK_ID= 4
##SPECTROMETER/DATA SYSTEM= PERKIN-ELMER LAMBDA 19 UV/VIS/NIR UV
##$MODELS=
<Models>
<ModelData id="trisen" type="MOL">
[Cr(en)3] - CRENCL01
  ViewerPro         3D                             0

 37 39  0  0  0  0  0  0  0  0999 V2000
   -6.8178   -3.2318    2.3853 Cr  0  0  0  0  0  0  0  0  0  1
   -7.4496   -5.1124    1.8334 N   0  0  0  0  0  0  0  0  0  2
   -6.6922   -4.1087    4.2572 N   0  0  0  0  0  0  0  0  0  3
   -6.8640   -2.4630    0.4500 N   0  0  0  0  0  0  0  0  0  4
   -4.8466   -3.6123    1.8864 N   0  0  0  0  0  0  0  0  0  5
   -8.7019   -2.4343    2.7023 N   0  0  0  0  0  0  0  0  0  6
   -6.2220   -1.3721    3.1908 N   0  0  0  0  0  0  0  0  0  7
   -7.1110   -6.0753    2.9102 C   0  0  0  0  0  0  0  0  0  8
   -7.3924   -5.3992    4.2510 C   0  0  0  0  0  0  0  0  0  9
   -5.6270   -2.8303   -0.2869 C   0  0  0  0  0  0  0  0  0 10
   -4.4764   -2.7950    0.7036 C   0  0  0  0  0  0  0  0  0 11
   -8.6181   -1.0335    2.9840 C   0  0  0  0  0  0  0  0  0 12
   -7.4108   -0.7048    3.8384 C   0  0  0  0  0  0  0  0  0 13
   -8.3175   -5.1069    1.7045 H   0  0  0  0  0  0  0  0  0 37
   -7.0542   -5.3495    1.0913 H   0  0  0  0  0  0  0  0  0 38
   -5.8550   -4.2355    4.4589 H   0  0  0  0  0  0  0  0  0 39
   -7.0700   -3.5847    4.8434 H   0  0  0  0  0  0  0  0  0 40
   -7.5544   -2.7906    0.0312 H   0  0  0  0  0  0  0  0  0 41
   -6.9380   -1.5993    0.4885 H   0  0  0  0  0  0  0  0  0 42
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   -9.1852   -2.5590    1.9852 H   0  0  0  0  0  0  0  0  0 45
   -9.0770   -2.8457    3.3675 H   0  0  0  0  0  0  0  0  0 46
   -5.6100   -1.5001    3.7833 H   0  0  0  0  0  0  0  0  0 47
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   -7.6419   -6.8607    2.8167 H   0  0  0  0  0  0  0  0  0 49
   -6.1972   -6.3202    2.8478 H   0  0  0  0  0  0  0  0  0 50
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   -5.7205   -3.7061   -0.6444 H   0  0  0  0  0  0  0  0  0 53
   -5.4849   -2.2170   -0.9874 H   0  0  0  0  0  0  0  0  0 54
   -4.3239   -1.9082    0.9666 H   0  0  0  0  0  0  0  0  0 55
   -3.6928   -3.1546    0.2910 H   0  0  0  0  0  0  0  0  0 56
   -9.4136   -0.7721    3.4403 H   0  0  0  0  0  0  0  0  0 57
   -8.5623   -0.5625    2.1619 H   0  0  0  0  0  0  0  0  0 58
   -7.2867    0.2316    3.8664 H   0  0  0  0  0  0  0  0  0 59
   -7.5324   -1.0478    4.7187 H   0  0  0  0  0  0  0  0  0 60
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0
  1  5  1  0  0  0
  1  6  1  0  0  0
  1  7  1  0  0  0
  2  8  1  0  0  0
  2 14  1  0  0  0
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  3  9  1  0  0  0
  3 16  1  0  0  0
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  7 24  1  0  0  0
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M  END
</ModelData>
</Models>
##$PEAKS=
<Peaks type="UV-Vis" xUnitsExpected="nm"  >
<PeakData id="1" title="Spin Allowed - delta ~460nm" peakShape="singlet" model="trisen"  xMax="480" xMin="440"    />
<PeakData id="2" title="Spin Allowed ~ 350nm" peakShape="singlet" model="trisen" xMax="370" xMin="330"    />
</Peaks>
##XUNITS= NANOMETERS
##YUNITS= ABSORBANCE
##XFACTOR= 4.5E-4
##YFACTOR= 1.00029136E-6
##FIRSTX= 250
##FIRSTY= 0.78065084
##LASTX= 700
##NPOINTS= 451
##XYDATA= (X++(Y..Y))
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1555556A7294  $$checkpoint
##END=
##TITLE= cis-K[Cr(ox)2(H2O)2].2 H2O
##JCAMP-DX= 5.0
##DATA TYPE= UV/VIS SPECTRUM
##DATA CLASS= XYDATA
##ORIGIN= Chemistry Department, UWI, JAMAICA
##OWNER= Prof Robert J. Lancashire
##DATE= 02/07/04
##TIME= 10:20:53.00
##BLOCK_ID= 5
##RESOLUTION= 1.000000
##SPECTROMETER/DATA SYSTEM= PERKIN-ELMER LAMBDA 19 UV/VIS/NIR UV
##$MODELS=
<Models>
<ModelData id="ox2" type="MOL">
"kcrox2aq"
  Chime   10090216323D

 15 16  0        0              1 V2000
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    1.3360    0.8920   -1.2760 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 14  2  0
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M  END
</ModelData>
</Models>
##$PEAKS=
<Peaks type="UV-Vis" xUnitsExpected="nm"  >
<PeakData id="1" title="Spin Forbidden Band ~672nm" peakShape="singlet" model="ox2" xMax="680" xMin="650"    />
<PeakData id="2" title="Spin Allowed - delta ~574nm" peakShape="singlet" model="ox2" xMax="600" xMin="540"    />
<PeakData id="3" title="Spin Allowed ~ 406nm" peakShape="singlet" model="ox2" xMax="440" xMin="380"    />
</Peaks>
##XUNITS= NANOMETERS
##YUNITS= ABSORBANCE
##XFACTOR= 6.5E-4
##YFACTOR= 8.42815161E-7
##FIRSTX= 350
##FIRSTY= 0.42375696
##LASTX= 1000
##NPOINTS= 651
##XYDATA= (X++(Y..Y))
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1538462b3869  $$checkpoint
##END=
##TITLE= K3[Cr(ox)3]
##JCAMP-DX= 5.00
##DATA TYPE= UV/VIS SPECTRUM
##DATA CLASS= XYDATA
##ORIGIN= Chemistry Department, UWI, JAMAICA
##OWNER= Prof Robert J. Lancashire
##DATE= 96/11/18
##TIME= 11:49:16.00
##BLOCK_ID= 6
##$MODELS=
<Models>
<ModelData id="ox3" type="MOL">
CROXKH
  ViewerPro         3D                             0

 19 21  0  0  0  0  0  0  0  0999 V2000
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    2.3376    2.5908    3.9146 O   0  0  0  0  0  0  0  0  0  6
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 14 15  1  0  0  0
 16 17  1  0  0  0
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M  END
</ModelData>
</Models>
##$PEAKS=
<Peaks type="UV-Vis" xUnitsExpected="nm"  >
<PeakData id="1" title="Spin Forbidden Band ~672nm" peakShape="singlet" model="ox3" xMax="680" xMin="650"    />
<PeakData id="2" title="Spin Allowed - delta ~574nm" peakShape="singlet" model="ox3" xMax="600" xMin="540"    />
<PeakData id="3" title="Spin Allowed ~ 406nm" peakShape="singlet" model="ox3" xMax="440" xMin="380"    />
</Peaks>
##XUNITS= NANOMETERS
##YUNITS= ABSORBANCE
##XFACTOR= 5.0200032E-4
##YFACTOR= 1.572176E-6
##FIRSTX= 297.99968498
##FIRSTY= 1.59061762
##LASTX= 800.00000498
##NPOINTS= 252
##XYDATA= (X++(Y..Y))
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##END=
##TITLE= [Cr(III)(EDTA)H2O]-
##JCAMP-DX= 5.0
##DATA TYPE= UV/VIS SPECTRUM
##DATA CLASS= XYDATA
##ORIGIN= Chemistry Department, UWI, JAMAICA
##OWNER= Prof Robert J. Lancashire
##DATE= 02/07/09
##TIME= 11:36:45.00
##BLOCK_ID= 7
##RESOLUTION= 1.000000
##SPECTROMETER/DATA SYSTEM= PERKIN-ELMER LAMBDA 19 UV/VIS/NIR UV
##$MODELS=
<Models>
<ModelData id="edta" type="MOL">
EDTACR01
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    2.3088    7.4344    4.0645 O   0  0  0  0  0  0  0  0  0  2
   -0.5007    7.5175    3.3541 O   0  0  0  0  0  0  0  0  0  3
    0.3236    7.1859    0.7103 O   0  0  0  0  0  0  0  0  0  4
    1.5060    9.2761    2.1570 O   0  0  0  0  0  0  0  0  0  5
    0.9185    5.3848    3.0492 N   0  0  0  0  0  0  0  0  0  6
    2.8423    6.5334    1.3375 N   0  0  2  0  0  0  0  0  0  7
    3.0150    6.2929    5.8507 O   0  0  0  0  0  0  0  0  0  8
    5.5327    5.8852    0.4245 O   0  0  0  0  0  0  0  0  0  9
    6.1389    8.0082    0.8576 O   0  0  0  0  0  0  0  0  0 10
    0.5829    6.8870   -1.4848 O   0  0  0  0  0  0  0  0  0 11
   -2.3792    6.4175    3.8704 O   0  0  0  0  0  0  0  0  0 12
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    2.3120    6.3910    4.8493 C   0  0  0  0  0  0  0  0  0 14
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M  END
</ModelData>
</Models>
##$PEAKS=
<Peaks type="UV-Vis" xUnitsExpected="nm"  >
<PeakData id="1" title="Spin Allowed - delta ~545nm" peakShape="singlet" model="edta" xMax="575" xMin="515"    />
<PeakData id="2" title="Spin Allowed ~ 390nm" peakShape="singlet" model="edta" xMax="420" xMin="360"    />
</Peaks>
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1842105D1794  $$checkpoint
##END=
##TITLE= K3[Cr(NCS)6]
##JCAMP-DX= 5.0
##DATA TYPE= UV/VIS SPECTRUM
##DATA CLASS= XYDATA
##BLOCK_ID= 8
##ORIGIN= Chemistry Department, UWI, JAMAICA $$Exported PE Spectrum Data File
##OWNER= Prof Robert J. Lancashire
##DATE= 02/07/09
##TIME= 11:40:11.00
##RESOLUTION= 1.000000
##SPECTROMETER/DATA SYSTEM= PERKIN-ELMER LAMBDA 19 UV/VIS/NIR UV
##$MODELS=
<Models>
<ModelData id="ncs" type="MOL">
TMCRTC
  ViewerPro         3D                             0

 19 18  0  0  0  0  0  0  0  0999 V2000
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    3.0179    0.8463    0.3938 C   0  0  0  0  0  0  0  0  0  3
    4.5850    1.3243    0.5879 S   0  0  0  0  0  0  0  0  0  4
   -0.5584    1.8042    0.8157 N   0  0  0  0  0  0  0  0  0  5
   -0.6947    2.8830    1.1926 C   0  0  0  0  0  0  0  0  0  6
   -0.8678    4.3757    1.7383 S   0  0  0  0  0  0  0  0  0  7
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    0.1069   -1.3113    2.8634 C   0  0  0  0  0  0  0  0  0  9
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M  END
</ModelData>
</Models>
##$PEAKS=
<Peaks type="UV-Vis" xUnitsExpected="nm"  >
<PeakData id="1" title="Spin Allowed - delta ~565nm" peakShape="singlet" model="ncs" xMax="595" xMin="535"    />
<PeakData id="2" title="Spin Allowed ~ 420nm" peakShape="singlet" model="ncs" xMax="450" xMin="390"    />
</Peaks>
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##END=
##TITLE= NH4[Cr(NH3)2(NCS)4]- Reinecke salt
##JCAMP-DX= 5.0
##DATA TYPE= UV/VIS SPECTRUM
##DATA CLASS= XYDATA
##BLOCK_ID= 9
##ORIGIN= Chemistry Department, UWI, JAMAICA $$Exported PE Spectrum Data File
##OWNER= Prof Robert J. Lancashire
##DATE= 02/07/09
##TIME= 11:47:52.00
##RESOLUTION= 1.000000
##SPECTROMETER/DATA SYSTEM= PERKIN-ELMER LAMBDA 19 UV/VIS/NIR UV
##$MODELS=
<Models>
<ModelData id="rein" type="MOL">
Reinecke Salt

  created with ArgusLab version 4.0.1
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  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 14 15  2  0  0  0  0
M  END
</ModelData>
</Models>
##$PEAKS=
<Peaks type="UV-Vis" xUnitsExpected="nm"  >
<PeakData id="1" title="Spin Allowed - delta ~520nm" peakShape="singlet" model="rein"  xMax="560" xMin="480"    />
<PeakData id="2" title="Spin Allowed ~ 392nm" peakShape="singlet" model="rein" xMax="430" xMin="370"    />
</Peaks>
##XUNITS= NANOMETERS
##YUNITS= ABSORBANCE
##XFACTOR= 3.41E-4
##YFACTOR= 8.79599929E-7
##FIRSTX= 359
##FIRSTY= 0.905159
##LASTX= 700
##NPOINTS= 342
##XYDATA= (X++(Y..Y))
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2052786B9173  $$checkpoint
##END=
##TITLE= [Cr(urea)6]Cl3
##JCAMP-DX= 4.24   $$ ISAS JCAMP-DX check program V1.1/a
##DATA TYPE= UV/VIS SPECTRUM
##BLOCK_ID= 10
##ORIGIN= Chemistry Department, UWI, JAMAICA $$Exported PE Spectrum Data File
##OWNER= Prof Robert J. Lancashire
##DATE= 02/07/22
##TIME= 16:33
##SPECTROMETER/DATA SYSTEM= PERKIN-ELMER LAMBDA 19 UV/VIS/NIR UV
##$MODELS=
<Models>
<ModelData id="urea" type="MOL">
Cr(urea)6- URCRCL
RLViewerPro         3D                             0

 25 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Cr  0  0  0  0  0  0  0  0  0  1
   -0.0940    1.6168    1.1049 O   0  0  0  0  0  0  0  0  0  4
    0.8334    2.4230    1.5429 C   0  0  0  0  0  0  0  0  0  5
    0.4496    3.6717    1.8481 N   0  0  0  0  0  0  0  0  0  6
    2.0865    2.0503    1.6573 N   0  0  0  0  0  0  0  0  0  7
    0.0940   -1.6168   -1.1049 O   0  0  0  0  0  0  0  0  0 13
   -1.3532   -0.8898    1.1049 O   0  0  0  0  0  0  0  0  0 14
    1.3532    0.8898   -1.1049 O   0  0  0  0  0  0  0  0  0 15
    1.4472   -0.7270    1.1049 O   0  0  0  0  0  0  0  0  0 16
   -1.4472    0.7270   -1.1049 O   0  0  0  0  0  0  0  0  0 17
   -0.8334   -2.4230   -1.5429 C   0  0  0  0  0  0  0  0  0 18
   -2.5150   -0.4898    1.5429 C   0  0  0  0  0  0  0  0  0 19
    2.5150    0.4898   -1.5429 C   0  0  0  0  0  0  0  0  0 20
    1.6817   -1.9332    1.5429 C   0  0  0  0  0  0  0  0  0 21
   -1.6817    1.9332   -1.5429 C   0  0  0  0  0  0  0  0  0 22
   -0.4496   -3.6717   -1.8481 N   0  0  0  0  0  0  0  0  0 23
   -2.0865   -2.0503   -1.6573 N   0  0  0  0  0  0  0  0  0 24
   -3.4046   -1.4465    1.8481 N   0  0  0  0  0  0  0  0  0 25
   -2.8189    0.7818    1.6573 N   0  0  0  0  0  0  0  0  0 26
    3.4046    1.4465   -1.8481 N   0  0  0  0  0  0  0  0  0 27
    2.8189   -0.7818   -1.6573 N   0  0  0  0  0  0  0  0  0 28
    2.9550   -2.2252    1.8481 N   0  0  0  0  0  0  0  0  0 29
    0.7324   -2.8321    1.6573 N   0  0  0  0  0  0  0  0  0 30
   -2.9550    2.2252   -1.8481 N   0  0  0  0  0  0  0  0  0 31
   -0.7324    2.8321   -1.6573 N   0  0  0  0  0  0  0  0  0 32
  1  2  1  0  0  0
  1  6  1  0  0  0
  1  7  1  0  0  0
  1  8  1  0  0  0
  1  9  1  0  0  0
  1 10  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3  5  1  0  0  0
  6 11  2  0  0  0
  7 12  2  0  0  0
  8 13  2  0  0  0
  9 14  2  0  0  0
 10 15  2  0  0  0
 11 16  1  0  0  0
 11 17  1  0  0  0
 12 18  1  0  0  0
 12 19  1  0  0  0
 13 20  1  0  0  0
 13 21  1  0  0  0
 14 22  1  0  0  0
 14 23  1  0  0  0
 15 24  1  0  0  0
 15 25  1  0  0  0
M  END
</ModelData>
</Models>
##$PEAKS=
<Peaks type="UV-Vis" xUnitsExpected="nm"  >
<PeakData id="1" title="Spin Forbidden Band ~694nm" peakShape="singlet" model="urea" xMax="710" xMin="670"    />
<PeakData id="2" title="Spin Allowed - delta ~624nm" peakShape="singlet" model="urea" xMax="650" xMin="600"    />
<PeakData id="3" title="Spin Allowed ~ 447nm" peakShape="singlet" model="urea" xMax="470" xMin="410"    />
</Peaks>
##RESOLUTION=   1.000000
##DELTAX=  -1.000000
##XUNITS= NANOMETERS
##YUNITS= ABSORBANCE
##XFACTOR=   .3051851E-01
##YFACTOR=   .2526176E-04
##FIRSTX=   1000.000
##LASTX=   350.0000
##MAXY=   .8277520
##MINY=   .2399087E-02
##NPOINTS=    651
##FIRSTY=   .3394008E-02
##XYDATA=(X++(Y..Y))
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11468G06
##END=
##END= $$ of all data