##TITLE= 29Si MAS NMR spectrum of chabazite, Si/Al=5.0 (chemical analysis) ##JCAMP-DX= 5.01 ##DATA TYPE= NMR SPECTRUM ##DATA CLASS= XYDATA ##ORIGIN= "Akporiaye et al.J. Phys. Chem., 100, 4148-4153 (1996) Figure 3c" ##OWNER= "processed by H. Koller, University of Münster" ##LONG DATE= 26.08.2019 14:30 ##SOURCE REFERENCE= CHA-29Si-Akporiaye-1996-C ##DATA PROCESSING= "Spectrum digitized with WebPlotDigitizer and deconvoluted with dmfit: D. Massiot et al., Magn. Reson. Chem., 40, 70-76 (2002)" $$Sample information ##NAMES= CHA ##NAMES= as-synthesized chabazite ##NAMES= as-synthesized chabazite ##SAMPLE DESCRIPTION= "chabazite, as-synthesized, with OSDA (Si/Al=5.0)" ##TEMPERATURE= N.A. " $$Bibliographic information" ##$AUTHORS= "Akporiaye, D.E., Dahl, I.M., Mostad, H.B., Wendelbo, R." ##$TITLE= "Aluminum Distribution in Chabazite: An Experimental and Computational Study" ##$JOURNAL= J. Phys. Chem. ##$VOLUME= 100 ##$PAGES= 4148-4153 ##$YEAR= 1996 ##$DOI= 10.1021/jp952189k ##$FIGURE= Figure 3c $$Peak information (Positions in ppm, Relative peak areas, Peak widths in ppm, Lorentzian/Gaussian shape parameter) ##$NUM PEAKS= 4 ##$PEAK TSITES= 0 0 0 0 ##$PEAK LABELS= A B C D ##$Q TYPE= Q4(0Al) Q4(1Al) Q4(2Al) Q4(3Al) ##$PEAK POSITIONS= -109.2 -103.3 -97.7 -91.8 ##$PEAK AREAS= 48.3 36.11 13.9 1.7 ##$PEAK WIDTHS= 3 3.6 3.7 2.6 ##$PEAK SHAPES= 0.64 0.68 0.3 0 ##$PEAK_CQ= ##$PEAK_etaQ= ##$NUMBERING REF= ##$ASSIGN REF= ##$ASSIGN METHOD= $$Spectrum acquisition information ##.OBSERVE NUCLEUS= 29Si ##.OBSERVE FREQUENCY= 59.6 ##.PULSE SEQUENCE= single pulse ##.MAS FREQUENCY= 4.5 $$Spectrum data information ##XUNITS= ppm ##YUNITS= arbitrary units ##FIRSTX= -75.20 ##LASTX= -124.40 ##XFACTOR= 1 ##YFACTOR= 1 ##NPOINTS= 493 ##FIRSTY= -0.0070 $$Spectrum data ##XYDATA= (X++(Y..Y)) -75.2000 -0.0069 -75.3000 -0.0009 -75.4000 0.0042 -75.5000 0.0072 -75.6000 0.0082 -75.7000 0.0082 -75.8000 0.0082 -75.9000 0.0072 -76.0000 0.0082 -76.1000 0.0052 -76.2000 0.0042 -76.3000 0.0011 -76.4000 -0.0009 -76.5000 -0.0049 -76.6000 -0.0090 -76.7000 -0.0120 -76.8000 -0.0141 -76.9000 -0.0141 -77.0000 -0.0120 -77.1000 -0.0110 -77.2000 -0.0060 -77.3000 -0.0019 -77.4000 0.0011 -77.5000 0.0011 -77.6000 0.0011 -77.7000 -0.0009 -77.8000 -0.0009 -77.9000 -0.0009 -78.0000 -0.0009 -78.1000 0.0022 -78.2000 0.0103 -78.3000 0.0153 -78.4000 0.0214 -78.5000 0.0235 -78.6000 0.0194 -78.7000 0.0184 -78.8000 0.0143 -78.9000 0.0133 -79.0000 0.0123 -79.1000 0.0113 -79.2000 0.0113 -79.3000 0.0123 -79.4000 0.0103 -79.5000 0.0082 -79.6000 0.0042 -79.7000 -0.0009 -79.8000 -0.0049 -79.9000 -0.0060 -80.0000 -0.0049 -80.1000 -0.0019 -80.2000 0.0022 -80.3000 0.0072 -80.4000 0.0103 -80.5000 0.0153 -80.6000 0.0153 -80.7000 0.0123 -80.8000 0.0123 -80.9000 0.0103 -81.0000 0.0103 -81.1000 0.0052 -81.2000 0.0011 -81.3000 -0.0009 -81.4000 0.0011 -81.5000 0.0011 -81.6000 0.0011 -81.7000 0.0011 -81.8000 0.0011 -81.9000 0.0042 -82.0000 0.0072 -82.1000 0.0133 -82.2000 0.0184 -82.3000 0.0224 -82.4000 0.0275 -82.5000 0.0275 -82.6000 0.0275 -82.7000 0.0235 -82.8000 0.0174 -82.9000 0.0093 -83.0000 0.0042 -83.1000 0.0011 -83.2000 0.0011 -83.3000 0.0032 -83.4000 0.0032 -83.5000 0.0001 -83.6000 -0.0039 -83.7000 -0.0090 -83.8000 -0.0120 -83.9000 -0.0141 -84.0000 -0.0141 -84.1000 -0.0110 -84.2000 -0.0060 -84.3000 -0.0019 -84.4000 0.0062 -84.5000 0.0143 -84.6000 0.0184 -84.7000 0.0204 -84.8000 0.0204 -84.9000 0.0174 -85.0000 0.0143 -85.1000 0.0123 -85.2000 0.0093 -85.3000 0.0103 -85.4000 0.0082 -85.5000 0.0052 -85.6000 0.0022 -85.7000 -0.0009 -85.8000 -0.0009 -85.9000 -0.0009 -86.0000 0.0001 -86.1000 0.0062 -86.2000 0.0052 -86.3000 0.0042 -86.4000 0.0011 -86.5000 0.0011 -86.6000 0.0022 -86.7000 0.0052 -86.8000 0.0062 -86.9000 0.0082 -87.0000 0.0072 -87.1000 0.0103 -87.2000 0.0123 -87.3000 0.0133 -87.4000 0.0143 -87.5000 0.0184 -87.6000 0.0255 -87.7000 0.0306 -87.8000 0.0366 -87.9000 0.0356 -88.0000 0.0306 -88.1000 0.0224 -88.2000 0.0153 -88.3000 0.0052 -88.4000 -0.0009 -88.5000 -0.0039 -88.6000 -0.0070 -88.7000 -0.0009 -88.8000 0.0022 -88.9000 0.0103 -89.0000 0.0123 -89.1000 0.0143 -89.2000 0.0184 -89.3000 0.0164 -89.4000 0.0164 -89.5000 0.0164 -89.6000 0.0164 -89.7000 0.0164 -89.8000 0.0214 -89.9000 0.0265 -90.0000 0.0326 -90.1000 0.0356 -90.2000 0.0407 -90.3000 0.0427 -90.4000 0.0447 -90.5000 0.0447 -90.6000 0.0478 -90.7000 0.0508 -90.8000 0.0539 -90.9000 0.0559 -91.0000 0.0539 -91.1000 0.0539 -91.2000 0.0488 -91.3000 0.0498 -91.4000 0.0549 -91.5000 0.0630 -91.6000 0.0721 -91.7000 0.0772 -91.8000 0.0823 -91.9000 0.0813 -92.0000 0.0802 -92.1000 0.0752 -92.2000 0.0742 -92.3000 0.0691 -92.4000 0.0671 -92.5000 0.0620 -92.6000 0.0610 -92.7000 0.0600 -92.8000 0.0600 -92.9000 0.0589 -93.0000 0.0579 -93.1000 0.0539 -93.2000 0.0529 -93.3000 0.0458 -93.4000 0.0447 -93.5000 0.0447 -93.6000 0.0458 -93.7000 0.0468 -93.8000 0.0468 -93.9000 0.0478 -94.0000 0.0508 -94.1000 0.0549 -94.2000 0.0610 -94.3000 0.0630 -94.4000 0.0640 -94.5000 0.0660 -94.6000 0.0671 -94.7000 0.0721 -94.8000 0.0752 -94.9000 0.0782 -95.0000 0.0843 -95.1000 0.0904 -95.2000 0.0955 -95.3000 0.1046 -95.4000 0.1117 -95.5000 0.1198 -95.6000 0.1269 -95.7000 0.1330 -95.8000 0.1472 -95.9000 0.1573 -96.0000 0.1644 -96.1000 0.1746 -96.2000 0.1857 -96.3000 0.1989 -96.4000 0.2100 -96.5000 0.2212 -96.6000 0.2364 -96.7000 0.2486 -96.8000 0.2618 -96.9000 0.2678 -97.0000 0.2760 -97.1000 0.2810 -97.2000 0.2861 -97.3000 0.2912 -97.4000 0.2962 -97.5000 0.3013 -97.6000 0.3033 -97.7000 0.3013 -97.8000 0.2983 -97.9000 0.2993 -98.0000 0.2973 -98.1000 0.2962 -98.2000 0.2942 -98.3000 0.2922 -98.4000 0.2891 -98.5000 0.2881 -98.6000 0.2861 -98.7000 0.2820 -98.8000 0.2749 -98.9000 0.2689 -99.0000 0.2577 -99.1000 0.2516 -99.2000 0.2435 -99.3000 0.2395 -99.4000 0.2344 -99.5000 0.2293 -99.6000 0.2253 -99.7000 0.2222 -99.8000 0.2232 -99.9000 0.2253 -100.0000 0.2263 -100.1000 0.2313 -100.2000 0.2313 -100.3000 0.2374 -100.4000 0.2405 -100.5000 0.2516 -100.6000 0.2628 -100.7000 0.2749 -100.8000 0.2871 -100.9000 0.2932 -101.0000 0.2973 -101.1000 0.3023 -101.2000 0.3084 -101.3000 0.3165 -101.4000 0.3267 -101.5000 0.3398 -101.6000 0.3591 -101.7000 0.3743 -101.8000 0.3976 -101.9000 0.4169 -102.0000 0.4392 -102.1000 0.4605 -102.2000 0.4828 -102.3000 0.5031 -102.4000 0.5244 -102.5000 0.5467 -102.6000 0.5629 -102.7000 0.5761 -102.8000 0.5903 -102.9000 0.6025 -103.0000 0.6147 -103.1000 0.6258 -103.2000 0.6339 -103.3000 0.6420 -103.4000 0.6461 -103.5000 0.6441 -103.6000 0.6380 -103.7000 0.6299 -103.8000 0.6177 -103.9000 0.5974 -104.0000 0.5792 -104.1000 0.5548 -104.2000 0.5345 -104.3000 0.5153 -104.4000 0.5021 -104.5000 0.4859 -104.6000 0.4757 -104.7000 0.4585 -104.8000 0.4382 -104.9000 0.4179 -105.0000 0.3936 -105.1000 0.3774 -105.2000 0.3632 -105.3000 0.3530 -105.4000 0.3449 -105.5000 0.3338 -105.6000 0.3256 -105.7000 0.3155 -105.8000 0.3064 -105.9000 0.2983 -106.0000 0.2942 -106.1000 0.2942 -106.2000 0.2942 -106.3000 0.2942 -106.4000 0.2942 -106.5000 0.2983 -106.6000 0.3044 -106.7000 0.3145 -106.8000 0.3246 -106.9000 0.3419 -107.0000 0.3571 -107.1000 0.3784 -107.2000 0.4027 -107.3000 0.4311 -107.4000 0.4595 -107.5000 0.4899 -107.6000 0.5214 -107.7000 0.5589 -107.8000 0.6005 -107.9000 0.6430 -108.0000 0.6948 -108.1000 0.7353 -108.2000 0.7799 -108.3000 0.8236 -108.4000 0.8550 -108.5000 0.8824 -108.6000 0.9077 -108.7000 0.9310 -108.8000 0.9574 -108.9000 0.9777 -109.0000 0.9949 -109.1000 1.0000 -109.2000 0.9959 -109.3000 0.9848 -109.4000 0.9675 -109.5000 0.9463 -109.6000 0.9209 -109.7000 0.8956 -109.8000 0.8672 -109.9000 0.8317 -110.0000 0.7952 -110.1000 0.7688 -110.2000 0.7282 -110.3000 0.6927 -110.4000 0.6512 -110.5000 0.6015 -110.6000 0.5558 -110.7000 0.5112 -110.8000 0.4727 -110.9000 0.4362 -111.0000 0.3976 -111.1000 0.3622 -111.2000 0.3307 -111.3000 0.3054 -111.4000 0.2810 -111.5000 0.2577 -111.6000 0.2384 -111.7000 0.2182 -111.8000 0.1999 -111.9000 0.1857 -112.0000 0.1685 -112.1000 0.1563 -112.2000 0.1431 -112.3000 0.1350 -112.4000 0.1259 -112.5000 0.1188 -112.6000 0.1137 -112.7000 0.1066 -112.8000 0.1046 -112.9000 0.1096 -113.0000 0.1127 -113.1000 0.1178 -113.2000 0.1188 -113.3000 0.1157 -113.4000 0.1127 -113.5000 0.1056 -113.6000 0.1056 -113.7000 0.1005 -113.8000 0.0985 -113.9000 0.0944 -114.0000 0.0863 -114.1000 0.0782 -114.2000 0.0691 -114.3000 0.0640 -114.4000 0.0610 -114.5000 0.0600 -114.6000 0.0620 -114.7000 0.0650 -114.8000 0.0681 -114.9000 0.0711 -115.0000 0.0711 -115.1000 0.0731 -115.2000 0.0731 -115.3000 0.0711 -115.4000 0.0691 -115.5000 0.0650 -115.6000 0.0620 -115.7000 0.0600 -115.8000 0.0600 -115.9000 0.0600 -116.0000 0.0569 -116.1000 0.0559 -116.2000 0.0559 -116.3000 0.0559 -116.4000 0.0559 -116.5000 0.0559 -116.6000 0.0559 -116.7000 0.0529 -116.8000 0.0488 -116.9000 0.0427 -117.0000 0.0407 -117.1000 0.0397 -117.2000 0.0427 -117.3000 0.0407 -117.4000 0.0387 -117.5000 0.0326 -117.6000 0.0275 -117.7000 0.0174 -117.8000 0.0103 -117.9000 0.0062 -118.0000 0.0032 -118.1000 0.0032 -118.2000 0.0032 -118.3000 0.0082 -118.4000 0.0072 -118.5000 0.0093 -118.6000 0.0103 -118.7000 0.0123 -118.8000 0.0184 -118.9000 0.0245 -119.0000 0.0275 -119.1000 0.0306 -119.2000 0.0316 -119.3000 0.0336 -119.4000 0.0306 -119.5000 0.0285 -119.6000 0.0184 -119.7000 0.0123 -119.8000 0.0052 -119.9000 0.0001 -120.0000 -0.0029 -120.1000 0.0011 -120.2000 0.0032 -120.3000 0.0011 -120.4000 0.0001 -120.5000 0.0001 -120.6000 0.0011 -120.7000 0.0022 -120.8000 0.0052 -120.9000 0.0052 -121.0000 0.0082 -121.1000 0.0103 -121.2000 0.0153 -121.3000 0.0184 -121.4000 0.0224 -121.5000 0.0275 -121.6000 0.0275 -121.7000 0.0316 -121.8000 0.0336 -121.9000 0.0377 -122.0000 0.0407 -122.1000 0.0427 -122.2000 0.0407 -122.3000 0.0356 -122.4000 0.0275 -122.5000 0.0235 -122.6000 0.0204 -122.7000 0.0235 -122.8000 0.0255 -122.9000 0.0295 -123.0000 0.0295 -123.1000 0.0275 -123.2000 0.0255 -123.3000 0.0255 -123.4000 0.0224 -123.5000 0.0214 -123.6000 0.0204 -123.7000 0.0204 -123.8000 0.0204 -123.9000 0.0153 -124.0000 0.0113 -124.1000 0.0062 -124.2000 0.0042 -124.3000 0.0032 -124.4000 0.0011 ##END=