##TITLE=              31P MAS NMR spectrum of calcined and rehydrated AlPO-5
##JCAMP-DX=           5.01
##DATA TYPE=          NMR SPECTRUM
##DATA CLASS=         XYDATA
##ORIGIN=             Meinhold and Tapp. J. Chem. Soc., Chem. Commun., 219-220 (1990) Figure 1
##OWNER=              Digitized and processed by Brouwer Lab, Redeemer University
##LONG DATE=          2020/07/15 15:30:10
##SOURCE REFERENCE=   AFI-31P-Meinhold-1990-rehydrated
##DATA PROCESSING=    Spectrum digitized with WebPlotDigitizer and deconvoluted with Mathematica notebook

$$Sample information 
##NAMES=              AFI
##NAMES=              AlPO-5
##SAMPLE DESCRIPTION= AlPO-5, calcined, hydrated

$$Bibliographic information 
##$AUTHORS=           Meinhold, R.H., Tapp, N.J.
##$TITLE=             An NMR study of the reaction of water with AlPO4-5
##$JOURNAL=           Journal of the Chemical Society, Chemical Communications
##$VOLUME=            
##$PAGES=             219-220
##$YEAR=              1990
##$DOI=               10.1039/C39900000219
##$FIGURE=            Figure 1

$$Peak information    (Positions in ppm, Relative peak areas, Peak widths in ppm, Lorentzian/Gaussian shape parameter)
##$NUM PEAKS=         5
##$PEAK LABELS=        A          B          C          D          E         
##$PEAK QSITES=       P[4tet,0oct] P[3tet,1oct] P[2tet,2oct] P[1tet,3oct] P[0tet,4oct]
##$PEAK POSITIONS=    -30.002    -25.9521   -21.5892   -15.1419   -8.30694   
##$PEAK AREAS=         14.7998    36.1999    33.3       13.6002    2.10008   
##$PEAK WIDTHS=        7.92416    7.92416    7.92416    7.92416    7.92416   
##$PEAK SHAPES=        0          0          0          0          0         
##$ASSIGN REF=        Fyfe et al. Zeolites, 16, 50-55 (1996) Table 1
##$ASSIGN METHOD=     statistical distibution of water bound to neighboring Al sites
##$COMMENT=           Peak areas are derived from random distibrution of Al sites to which water binds. 27Al NMR indicates 62% of Al sites are tetrahedral and 38% are octahedral

$$Spectrum acquisition information 
##.OBSERVE NUCLEUS=   ^31P
##.OBSERVE FREQUENCY= 80.96
##.PULSE SEQUENCE=    single pulse
##.MAS FREQUENCY=     5000

$$Spectrum data information 
##XUNITS=             PPM
##YUNITS=             ARBITRARY UNITS
##FIRSTX=              2.                   
##LASTX=              -48.                  
##XFACTOR=            1
##YFACTOR=            1
##NPOINTS=            251
##FIRSTY=             -0.01231              

$$Spectrum data
##XYDATA=             (X++(Y..Y))
  2.                 -0.01231              
  1.8                -0.01829              
  1.6                -0.01885              
  1.4                -0.01361              
  1.2                -0.01169              
  1.                 -0.01206              
  0.8                -0.01186              
  0.6                -0.01224              
  0.4                -0.01052              
  0.2                 0.00335              
  0.00000             0.01185              
 -0.2                 0.01008              
 -0.4                 0.01055              
 -0.6                 0.01043              
 -0.8                 0.01046              
 -1.                  0.01046              
 -1.2                 0.01045              
 -1.4                 0.01047              
 -1.6                 0.01041              
 -1.8                 0.01062              
 -2.                  0.00979              
 -2.2                 0.01490              
 -2.4                 0.02993              
 -2.6                 0.04716              
 -2.8                 0.06870              
 -3.                  0.08122              
 -3.2                 0.08287              
 -3.4                 0.08795              
 -3.6                 0.08873              
 -3.8                 0.09276              
 -4                   0.11447              
 -4.2                 0.12585              
 -4.4                 0.12978              
 -4.6                 0.13981              
 -4.8                 0.15406              
 -5                   0.17300              
 -5.2                 0.18802              
 -5.4                 0.20835              
 -5.6                 0.22841              
 -5.8                 0.23321              
 -6.                  0.23880              
 -6.2                 0.24454              
 -6.4                 0.24957              
 -6.6                 0.25502              
 -6.8                 0.25978              
 -7.                  0.27781              
 -7.2                 0.30542              
 -7.4                 0.32913              
 -7.6                 0.35838              
 -7.8                 0.38471              
 -8                   0.41517              
 -8.2                 0.45168              
 -8.4                 0.48361              
 -8.6                 0.50939              
 -8.8                 0.54073              
 -9.                  0.57675              
 -9.2                 0.60930              
 -9.4                 0.64379              
 -9.6                 0.68320              
 -9.8                 0.72341              
 -10.                 0.76295              
 -10.2                0.7969               
 -10.4                0.84117              
 -10.6                0.89200              
 -10.8                0.93822              
 -11.                 1.00334              
 -11.2                1.06202              
 -11.4                1.09716              
 -11.6                1.14328              
 -11.8                1.20074              
 -12.                 1.24745              
 -12.2                1.2913               
 -12.4                1.34848              
 -12.6                1.39976              
 -12.8                1.43358              
 -13.                 1.50016              
 -13.2                1.58623              
 -13.4                1.65081              
 -13.6                1.72788              
 -13.8                1.81209              
 -14.                 1.87137              
 -14.2                1.93029              
 -14.4                1.99797              
 -14.6                2.05519              
 -14.8                2.1232               
 -15.                 2.18977              
 -15.2                2.27611              
 -15.4                2.36838              
 -15.6                2.44511              
 -15.8                2.52599              
 -16.                 2.60069              
 -16.2                2.66345              
 -16.4                2.74653              
 -16.6                2.85163              
 -16.8                2.94324              
 -17.                 3.0302               
 -17.2                3.12014              
 -17.4                3.26219              
 -17.6                3.38457              
 -17.8                3.45337              
 -18.                 3.58457              
 -18.2                3.73971              
 -18.4                3.86534              
 -18.6                4.01903              
 -18.8                4.18075              
 -19.                 4.2924               
 -19.2                4.42065              
 -19.4                4.59356              
 -19.6                4.75099              
 -19.8                4.88768              
 -20.                 5.04051              
 -20.2                5.18631              
 -20.4                5.33705              
 -20.6                5.50146              
 -20.8                5.65136              
 -21.                 5.79616              
 -21.2                5.94269              
 -21.4                6.07893              
 -21.6                6.2032               
 -21.8                6.30525              
 -22.                 6.38997              
 -22.2                6.50234              
 -22.4                6.59922              
 -22.6                6.6633               
 -22.8                6.74549              
 -23.                 6.83686              
 -23.2                6.89455              
 -23.4                6.94086              
 -23.6                6.99064              
 -23.8                7.03322              
 -24.                 7.07279              
 -24.2                7.09193              
 -24.4                7.0996               
 -24.6                7.10829              
 -24.8                7.10883              
 -25.                 7.07661              
 -25.2                7.02999              
 -25.4                6.99152              
 -25.6                6.94508              
 -25.8                6.86676              
 -26.                 6.78751              
 -26.2                6.715                
 -26.4                6.61568              
 -26.6                6.51542              
 -26.8                6.43044              
 -27.                 6.33814              
 -27.2                6.23275              
 -27.4                6.08275              
 -27.6                5.95063              
 -27.8                5.84455              
 -28.                 5.67335              
 -28.2                5.51584              
 -28.4                5.39115              
 -28.6                5.21875              
 -28.8                5.0493               
 -29.                 4.90154              
 -29.2                4.70919              
 -29.4                4.52387              
 -29.6                4.38439              
 -29.8                4.23879              
 -30.                 4.06122              
 -30.2                3.88683              
 -30.4                3.75072              
 -30.6                3.56102              
 -30.8                3.35584              
 -31.                 3.19063              
 -31.2                2.9946               
 -31.4                2.80486              
 -31.6                2.62199              
 -31.8                2.46714              
 -32.                 2.35347              
 -32.2                2.1812               
 -32.4                2.01821              
 -32.6                1.93011              
 -32.8                1.79719              
 -33.                 1.64378              
 -33.2                1.52702              
 -33.4                1.41418              
 -33.6                1.31149              
 -33.8                1.18253              
 -34.                 1.05434              
 -34.2                0.95494              
 -34.4                0.88162              
 -34.6                0.80436              
 -34.8                0.72553              
 -35.                 0.65905              
 -35.2                0.59535              
 -35.4                0.54511              
 -35.6                0.48547              
 -35.8                0.43039              
 -36.                 0.39403              
 -36.2                0.36326              
 -36.4                0.33274              
 -36.6                0.30595              
 -36.8                0.26586              
 -37.                 0.23274              
 -37.2                0.21796              
 -37.4                0.20332              
 -37.6                0.18736              
 -37.8                0.17095              
 -38.                 0.15286              
 -38.2                0.13724              
 -38.4                0.12353              
 -38.6                0.11345              
 -38.8                0.11123              
 -39.                 0.10865              
 -39.2                0.09380              
 -39.4                0.08756              
 -39.6                0.08981              
 -39.8                0.08546              
 -40.                 0.08177              
 -40.2                0.08180              
 -40.4                0.07991              
 -40.6                0.07671              
 -40.8                0.07104              
 -41.                 0.06414              
 -41.2                0.05582              
 -41.4                0.04143              
 -41.6                0.02732              
 -41.8                0.01423              
 -42.                 0.00971              
 -42.2                0.01163              
 -42.4                0.01561              
 -42.6                0.02002              
 -42.8                0.022                
 -43.                 0.02159              
 -43.2                0.02170              
 -43.4                0.02167              
 -43.6                0.02168              
 -43.8                0.02166              
 -44.                 0.02171              
 -44.2                0.02151              
 -44.4                0.02235              
 -44.6                0.01892              
 -44.8                0.01174              
 -45.                 0.00998              
 -45.2                0.01186              
 -45.4                0.01605              
 -45.6                0.02033              
 -45.8                0.02199              
 -46.                 0.02159              
 -46.2                0.02169              
 -46.4                0.02166              
 -46.6                0.02169              
 -46.8                0.02162              
 -47.                 0.02187              
 -47.2                0.02020              
 -47.4                0.01325              
 -47.6                0.00822              
 -47.8                0.00458              
 -48.                 0.00062              
##END=
