G'day! I'm looking for a spectrum of CuCl (solid), or a reference where I can see one. I'm more interested in the XANES than the EXAFS region. I've found Rumpf et al., Journal of Solid State Chemistry, 163, 158 (2002), but what puzzles me is that the spectra in the Farrel Lytle database are somewhat different with a stronger whiteline. Only the spectrum at 77K (from FL database) does not have this white line, but its poor definition does not make me feel confident. Thanks in advance. Denis -- Denis Testemale School of Earth and Environmental Sciences, Adelaide University and South Australian Museum North Terrace 5000 Adelaide ph: +61 8 8207 7659
Hello Denis: There are several references that may be useful to you. Just to name a few: 1) Applied Catalysis B: Environmental 2006 64 (1-2), pp. 42-50 2) Chemistry of Materials 2006 18 (9), pp. 2347-2356 3) J. Phys. Chem. B 2003 107 (35) pp. 9195-9202 4) Chemosphere 2005 59 (10), pp. 1497-1505 I haven't systematically analyzed these references, neither compared at any level against the FL database or the work of Rumpf et al. However, on a purely quantitative basis the first (3) references seemed to agree in the CuCl(s) XANES spectrum, with a pre-edge feature at ~8984.5 eV and the absorption maximum occurring ~8987 eV. The final reference shows a different signature for the XANES spectrum of CuCl(s), where (2) features at the 8990-9000 eV region are more intense than the previously accounted absorption maximum (~8987 eV). This spectrum seems to be consistent with the data our group collected for CuCl(s), so I'm attaching it for you to take a look. However, since I have not validated that compound by other technique (e.g. XRD) I advice you to use it with discretion. I lack for an explanation concerning the intensity differences of the (2) XANES spectra for CuCl(s) available in the literature, but both spectra possess a pre-edge shoulder within the 8982-8985 eV region, that agrees with the observed 1s->4p electronic transition for Cu(I) phases. Hope the references help you Marco on 29/10/2006 22:09 Denis Testemale wrote:
G'day!
I'm looking for a spectrum of CuCl (solid), or a reference where I can see one. I'm more interested in the XANES than the EXAFS region. I've found Rumpf et al., Journal of Solid State Chemistry, 163, 158 (2002), but what puzzles me is that the spectra in the Farrel Lytle database are somewhat different with a stronger whiteline. Only the spectrum at 77K (from FL database) does not have this white line, but its poor definition does not make me feel confident. Thanks in advance. Denis
-- Denis Testemale School of Earth and Environmental Sciences, Adelaide University and South Australian Museum North Terrace 5000 Adelaide ph: +61 8 8207 7659
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-- Marco A. Alsina Escuela de Ingeniería Hidráulica y Ambiental Pontificia Universidad Católica de Chile Vicuña Mackenna 4860, 782-0436, Macul tel: (56 2) 354 4873 # Athena data file -- Athena version 0.8.049 # Saving CuCl as normalized mu(E) # . Element=Cu Edge=K # Background parameters # ". E0=8981.985 Eshift=0.481 Rbkg=1.000 # ". Standard=0: None # ". Kweight=2.0 Edge step=1.330 # ". Fixed step=no Flatten=yes # ". Pre-edge range: [ -150.000 : -30.000 ] # ". Pre-edge line: 4.3883 -0.00052505 * E # ". Normalization range: [ 150.000 : 1131.771 ] # ". Post-edge polynomial: 27.819 -0.0049747 * E + 2.2145e-007 * E^2 # ". Spline range: [ 0.952 : 1231.830 ] Clamps: None/Strong # Foreward FT parameters # ". Kweight=3 Window=kaiser-bessel Phase correction=no # ". k-range: [ 2.000 : 12.000 ] dk=0.20 # Backward FT parameters # ". R-range: [ 1.000 : 3.000 ] # ". dR=0.00 Window=kaiser-bessel # Plotting parameters # . Multiplier=1 Y-offset=0.000 # . #------------------------ # energy norm bkg_norm 8829.4026 0.20002956E-03 0.20057501E-03 8830.4087 -0.62109866E-04 -0.61564493E-04 8831.5157 -0.67089442E-04 -0.66544151E-04 8832.3545 -0.56807778E-04 -0.56262548E-04 8833.4620 0.18078859E-03 0.18133374E-03 8834.4355 0.67952176E-04 0.68497253E-04 8835.4427 0.23270015E-03 0.23324515E-03 8836.4502 0.16005074E-03 0.16059566E-03 8837.4579 0.16857419E-03 0.16911904E-03 8838.4323 0.41638879E-03 0.41693357E-03 8839.4405 0.67188907E-03 0.67243378E-03 8840.4489 0.23819087E-03 0.23873551E-03 8841.4576 0.14911082E-03 0.14965538E-03 8842.4329 0.19919937E-03 0.19974386E-03 8843.4757 0.37234703E-03 0.37289144E-03 8844.4514 0.44571701E-03 0.44626135E-03 8845.4947 0.16336499E-03 0.16390925E-03 8846.4709 0.19288190E-03 0.19342610E-03 8847.4810 0.44823868E-03 0.44878280E-03 8848.4913 0.81631818E-04 0.82175862E-04 8849.4682 0.30751312E-03 0.30805709E-03 8850.5127 0.36100061E-03 0.36154451E-03 8851.5237 0.39558561E-03 0.39612943E-03 8852.5013 0.56196664E-03 0.56251039E-03 8853.5128 0.32017358E-03 0.32071726E-03 8854.5246 0.38546108E-03 0.38600468E-03 8855.5028 0.28972231E-03 0.29026584E-03 8856.5150 0.30553490E-03 0.30607835E-03 8857.5275 0.31306121E-03 0.31360459E-03 8858.5402 0.18014608E-03 0.18068939E-03 8859.5531 0.62546689E-03 0.62601012E-03 8860.5325 0.31900314E-03 0.31954630E-03 8861.5120 0.49300564E-03 0.49354873E-03 8862.4919 0.23936252E-03 0.23990553E-03 8863.5056 0.40242428E-03 0.40296722E-03 8864.5536 0.42230972E-03 0.42285258E-03 8865.5003 0.43343865E-03 0.43398144E-03 8866.5825 0.24909612E-03 0.24963883E-03 8867.4621 0.29239148E-03 0.29293413E-03 8868.5785 0.36336019E-03 0.36390275E-03 8869.4585 0.22662155E-03 0.22716405E-03 8870.5417 0.12903411E-03 0.12957654E-03 8871.5574 0.12118488E-03 0.12172723E-03 8872.5395 -0.81560050E-04 -0.81017774E-04 8873.5557 -0.46558241E-05 -0.41136233E-05 8874.5383 0.40355406E-04 0.40897535E-04 8875.4872 -0.19169042E-03 -0.19114836E-03 8876.4701 -0.26394183E-03 -0.26339984E-03 8877.4872 -0.33729850E-04 -0.33187938E-04 8878.5386 -0.54793315E-04 -0.54251480E-04 8879.4204 -0.14136443E-03 -0.14082266E-03 8880.5061 0.16663080E-03 0.16717249E-03 8881.4563 -0.96577868E-04 -0.96036248E-04 8882.5425 0.10534395E-03 0.10588549E-03 8883.4254 -0.18408382E-03 -0.18354234E-03 8884.5121 0.33464564E-04 0.34005959E-04 8885.5650 -0.19152671E-03 -0.19098539E-03 8886.5503 -0.89777983E-04 -0.89236737E-04 8887.5359 -0.18501790E-03 -0.18447672E-03 8888.5556 -0.20191155E-03 -0.20137045E-03 8889.4736 -0.54370488E-03 -0.54316385E-03 8890.5278 -0.39255595E-03 -0.39201500E-03 8891.4461 -0.25798981E-03 -0.25744892E-03 8892.5348 -0.37069129E-03 -0.37015049E-03 8893.5557 -0.62494639E-03 -0.62440566E-03 8894.4747 -0.39282309E-03 -0.39228243E-03 8895.4961 -0.46959791E-03 -0.46905732E-03 8896.4496 -0.24352208E-03 -0.24298156E-03 8897.5396 -0.56351792E-03 -0.56297748E-03 8898.5958 -0.41404109E-03 -0.41350073E-03 8899.4819 -0.35645640E-03 -0.35591610E-03 8900.5044 -0.51065900E-03 -0.51011878E-03 8901.4931 -0.35497870E-03 -0.35443855E-03 8902.5503 -0.76546650E-03 -0.76492643E-03 8903.5053 -0.92292685E-03 -0.92238685E-03 8904.5629 -0.74535724E-03 -0.74481732E-03 8905.5525 -0.77088847E-03 -0.77034862E-03 8906.5423 -0.49784606E-03 -0.49730628E-03 8907.4982 -0.92470124E-03 -0.92416154E-03 8908.5568 -0.80397592E-03 -0.80343629E-03 8909.5132 -0.12253889E-02 -0.12248493E-02 8910.5040 -0.77702922E-03 -0.77648973E-03 8911.4608 -0.89861281E-03 -0.89807340E-03 8912.5545 -0.89811482E-03 -0.89757548E-03 8913.5460 -0.59335074E-03 -0.59281148E-03 8914.5377 -0.86716893E-03 -0.86662974E-03 8915.5980 -0.11381738E-02 -0.11376347E-02 8916.5559 -0.10406447E-02 -0.10401057E-02 8917.4798 -0.70614639E-03 -0.70560742E-03 8918.4724 -0.74451502E-03 -0.74397612E-03 8919.4994 -0.81038851E-03 -0.80984968E-03 8920.5609 -0.50585885E-03 -0.50532010E-03 8921.5541 -0.43351389E-03 -0.43297522E-03 8922.4792 -0.74530996E-03 -0.74477135E-03 8923.4729 -0.10858271E-02 -0.10852886E-02 8924.4669 -0.75182630E-03 -0.75128785E-03 8925.4953 -0.67023074E-03 -0.66969236E-03 8926.4554 -0.63166405E-03 -0.63112574E-03 8927.5529 -0.47188661E-03 -0.47134838E-03 8928.5478 -0.66283145E-03 -0.66229329E-03 8929.5429 -0.31417581E-03 -0.31363773E-03 8930.4695 -0.49450542E-03 -0.49396740E-03 8931.4650 -0.65772547E-03 -0.65718753E-03 8932.4952 -0.29268475E-03 -0.29214689E-03 8933.4569 -0.24331348E-03 -0.24277568E-03 8934.5561 -0.14918744E-04 -0.14381028E-04 8935.4495 -0.21384527E-03 -0.21330762E-03 8936.5494 -0.24177340E-05 -0.18801644E-05 8937.4432 0.21196403E-03 0.21250154E-03 8938.5434 0.38049487E-03 0.38103229E-03 8939.5408 0.39304389E-03 0.39358124E-03 8940.5040 0.22282265E-03 0.22335992E-03 8941.5362 0.29545628E-03 0.29599349E-03 8942.6031 0.29702272E-03 0.29755985E-03 8943.5670 0.39354885E-03 0.39408591E-03 8944.4967 0.69894872E-03 0.69948570E-03 8945.4955 0.73157804E-03 0.73211495E-03 8946.5978 0.10092291E-02 0.10097659E-02 8947.5282 0.97289871E-03 0.97343548E-03 8948.4931 0.13578548E-02 0.13583914E-02 8949.4928 0.16211920E-02 0.16217287E-02 8949.9754 0.16631225E-02 0.16636591E-02 8950.5272 0.18656468E-02 0.18661833E-02 8950.9754 0.18550635E-02 0.18556000E-02 8951.5272 0.20391566E-02 0.20396931E-02 8951.9757 0.23154263E-02 0.23159627E-02 8952.4931 0.24746768E-02 0.24752132E-02 8952.9761 0.24954927E-02 0.24960291E-02 8953.4937 0.25940032E-02 0.25945395E-02 8953.9768 0.25504859E-02 0.25510222E-02 8954.4945 0.27436485E-02 0.27441847E-02 8955.0122 0.25777701E-02 0.25783063E-02 8955.4610 0.29392595E-02 0.29397957E-02 8955.9789 0.31846940E-02 0.31852301E-02 8956.4624 0.33701841E-02 0.33707202E-02 8956.9803 0.33753705E-02 0.33759065E-02 8957.4638 0.34378439E-02 0.34383800E-02 8957.9819 0.35289493E-02 0.35294853E-02 8958.4656 0.38573457E-02 0.38578817E-02 8958.9838 0.39917885E-02 0.39923244E-02 8959.5021 0.43156478E-02 0.43161836E-02 8960.0204 0.45452465E-02 0.45457824E-02 8960.4696 0.44947342E-02 0.44952700E-02 8960.9881 0.51217230E-02 0.51222588E-02 8961.4720 0.53277572E-02 0.53282929E-02 8961.9560 0.54729597E-02 0.54734954E-02 8962.4747 0.57939304E-02 0.57944661E-02 8962.9934 0.63627277E-02 0.63632633E-02 8963.4775 0.64521913E-02 0.64527269E-02 8964.0310 0.68547041E-02 0.68552397E-02 8964.4807 0.72809931E-02 0.72815286E-02 8964.9996 0.77229368E-02 0.77234723E-02 8965.4494 0.77325745E-02 0.77331099E-02 8965.9685 0.81019350E-02 0.81024704E-02 8966.4531 0.88972845E-02 0.88978199E-02 8966.9722 0.94176548E-02 0.94181901E-02 8967.4914 0.10197576E-01 0.10198112E-01 8968.0107 0.10490908E-01 0.10491443E-01 8968.4955 0.11314173E-01 0.11314708E-01 8968.9803 0.11444549E-01 0.11445084E-01 8969.4997 0.12029814E-01 0.12030350E-01 8969.9845 0.12712580E-01 0.12713115E-01 8970.4695 0.14128426E-01 0.14128961E-01 8970.9891 0.14456964E-01 0.14457499E-01 8971.4742 0.15514269E-01 0.15514804E-01 8971.9939 0.16551836E-01 0.16552371E-01 8972.4791 0.17526964E-01 0.17527499E-01 8972.9990 0.19281120E-01 0.19281655E-01 8973.4843 0.20649793E-01 0.20650328E-01 8973.9696 0.22286693E-01 0.22287228E-01 8974.5244 0.24462264E-01 0.24462799E-01 8975.0099 0.27114120E-01 0.27114655E-01 8975.5301 0.29820631E-01 0.29821166E-01 8975.9810 0.33462703E-01 0.33463238E-01 8976.5013 0.38363597E-01 0.38364131E-01 8976.9869 0.43564413E-01 0.43564947E-01 8977.4726 0.48401589E-01 0.48402123E-01 8977.9931 0.53836738E-01 0.53837273E-01 8978.4790 0.61506030E-01 0.61506564E-01 8978.9996 0.73176976E-01 0.73177510E-01 8979.4508 0.90401820E-01 0.90402354E-01 8979.9715 0.11605642 0.11605695 8980.4922 0.15911497 0.15911551 8980.9783 0.22219202 0.22219256 8981.5340 0.31869064 0.31869118 8981.9855 0.42831362 0.42831415 8982.4718 0.51256896 0.51256949 8982.9582 0.55416670 1.0105682 8983.4793 0.57535177 1.1438558 8984.0005 0.61599370 1.1255531 8984.4870 0.67643726 1.1094460 8985.0083 0.74678970 1.0932009 8985.4602 0.82120712 1.0799485 8985.9816 0.88062333 1.0655842 8986.4683 0.91382726 1.0530464 8987.0247 0.90732508 1.0397090 8987.5115 0.87544254 1.0288818 8987.9984 0.84297119 1.0188117 8988.4853 0.82992629 1.0094762 8989.0071 0.83512202 1.0002584 8989.4593 0.85506676 0.99290233 8989.9813 0.87858164 0.98511719 8990.4684 0.89696474 0.97850537 8990.9904 0.91123813 0.97209060 8991.5125 0.93326998 0.96633943 8991.9999 0.97586028 0.96154155 8992.4873 1.0238195 0.95726802 8993.0096 1.0586653 0.95324325 8993.4275 1.0735018 0.95041527 8993.9846 1.0728188 0.94715642 8994.4722 1.0687178 0.94475708 8995.0296 1.0649477 0.94249769 8995.4825 1.0639815 0.94101603 8996.0051 1.0629567 0.93967207 8996.4930 1.0604666 0.93874476 8996.9808 1.0578750 0.93810704 8997.4688 1.0567028 0.93773312 8997.9567 1.0585709 0.93759746 8998.4797 1.0626672 0.93768738 8999.0027 1.0674575 0.93798981 8999.4908 1.0708731 0.93843592 9000.0139 1.0715964 0.93905957 9000.4674 1.0654626 0.93969814 9000.9906 1.0513786 0.94051974 9001.4441 1.0325811 0.94128194 9002.0023 1.0114583 0.94225210 9002.4909 0.99578129 0.94310249 9002.9794 0.98456087 0.94394109 9003.4680 0.97859310 0.94476774 9004.0265 0.97671544 0.94569800 9004.5153 0.97693437 0.94649947 9004.9690 0.97821059 0.94723294 9005.5278 0.97911737 0.94812250 9005.9817 0.97905457 0.94883404 9006.5056 0.97903982 0.94964293 9007.0295 0.97901477 0.95043889 9007.5185 0.97903004 0.95117022 9007.9727 0.97761294 0.95183950 9008.4969 0.97492919 0.95260002 9009.0210 0.97156658 0.95334799 9009.4754 0.96681162 0.95398630 9009.9997 0.96119283 0.95471140 9010.4891 0.95507690 0.95537714 9010.9786 0.94878276 0.95603250 9011.5380 0.94211093 0.95676872 9012.0276 0.93536815 0.95740200 9012.4822 0.92885799 0.95798095 9012.9719 0.92343926 0.95859465 9013.8464 0.91531414 0.95966588 9015.0361 0.90809134 0.96107285 9016.1911 0.90402414 0.96238464 9017.3464 0.89941318 0.96364461 9018.6070 0.89413762 0.96496161 9019.8330 0.88957052 0.96618604 9021.0945 0.88789987 0.96738964 9022.3561 0.88876324 0.96853800 9023.5480 0.89170752 0.96957358 9024.9509 0.89786386 0.97073304 9026.2487 0.90666955 0.97175054 9027.5822 0.91811594 0.97274274 9028.9160 0.93003295 0.97368320 9030.2503 0.94283175 0.97457417 9031.7605 0.95457059 0.97552495 9032.9902 0.96601151 0.97625587 9034.5014 0.97750184 0.97710349 9035.9075 0.98797721 0.97784455 9037.4549 0.99918527 0.97860985 9038.9676 1.0090286 0.97931015 9040.5513 1.0182972 0.97999590 9041.8891 1.0250545 0.98053992 9043.5795 1.0304521 0.98118449 9045.1648 1.0337765 0.98174902 9046.6801 1.0334806 0.98225569 9048.3017 1.0306192 0.98276572 9049.9594 1.0268339 0.98325643 9051.6175 1.0221528 0.98372020 9053.2057 1.0182995 0.98414266 9054.9710 1.0144102 0.98459151 9056.7016 1.0109649 0.98501481 9058.3977 1.0070961 0.98541792 9060.1298 1.0043460 0.98582204 9061.8626 1.0004675 0.98622219 9063.6666 0.99595317 0.98663501 9065.4716 0.99210334 0.98704413 9067.3127 0.98722390 0.98745733 9069.1544 0.98222239 0.98786647 9070.9972 0.97722465 0.98827157 9072.8759 0.97331666 0.98868013 9074.7555 0.96961996 0.98908433 9076.6359 0.96638381 0.98948406 9078.5171 0.96386774 0.98987927 9080.4702 0.96278719 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participants (2)
-
Denis Testemale -
Marco A. Alsina