# Submitted as a supplementary file to the manuscript Krot A.D. et al, Establishing XANES Signatures of Rhenium Oxidation States: A Combined Theoretical and Experimental Reference Study for Analytical Applications # Laboratory spectrometer LomonosovXAS [DOI: 10.1107/S1600577523006926] # Normalized data, Re L1 edge # transmission mode, room temperature # Energy, eV NEt4ReS4 Re2(CO)10 Re(CO)5Cl Re3Cl9 Re3I9 ReO2 ReO3 ReOCl3(tff)2 HReO4 (1M) HprzReO4 HprzReO4 (aq.) (Hprz)2Re4O15 (Hprz)2Re4O15 (aq.) ReO3Br(o-phen) 12505 0.04753039 0.003696286 0.015776938 -0.018551403 0.0097738983 0.018025606 0.045077416 0.0059441566 -0.016350324 0.027899925 0.0058055137 0.002333051 0.030577233 0.0032816703 12507 -0.043201284 -0.014884317 -0.0068405969 0.0063384312 0.023374471 -0.0054398843 -0.075984262 3.1579876E-4 0.0055547282 -0.017271523 0.0087651222 0.011758753 -0.042422928 -0.0040757695 12509 -0.019139291 0.016504533 -0.02206426 0.040564805 -0.057035695 -0.014004739 0.013236541 -0.0030054967 0.013923723 0.0015322581 -0.0070995618 -0.047299732 0.039126437 -0.0014422994 12511 0.013698447 -6.1603012E-4 0.0022466556 -0.008530366 0.042500141 0.0018499782 0.10483074 6.8568156E-4 0.01591447 -0.019900179 2.3123069E-4 0.043151053 -0.036859799 0.0067924818 12512 -0.024601104 -0.016402689 -0.0010646588 -0.013909752 -0.044024658 0.01335827 -0.10474909 -0.034879654 -0.0045458707 -0.050542858 -0.031108097 -0.0026813524 -0.011459365 0.020277779 12514 0.021219063 0.01275509 0.023548047 -0.0327319 0.01955245 -0.014149678 -0.02739524 -0.011404171 -0.014496619 0.020348761 0.006820984 0.0018370436 -0.019330822 -0.0015344723 12515 0.025364494 -0.0068211108 -0.011602183 0.026820104 0.00585931 0.010462602 0.044983841 0.018756874 0.0015762219 0.016629034 0.016584887 -0.0090989601 0.040369116 0.019838386 12517 -0.024545002 0.014823204 0.01602843 0.017475959 0.027687727 -0.030198784 -0.16626671 0.027394128 -0.01103213 -0.0085597373 0.018627957 -0.02682702 -0.034890778 0.013686942 12518 -0.026386613 -0.020370501 0.061607205 0.087354742 0.012928014 -0.010457231 0.25120348 0.084244068 0.013828519 0.010299428 -9.3737485E-4 0.031920728 -0.02296803 0.0045498021 12520 0.065848891 0.041662782 0.02314566 0.068674057 7.7848229E-4 -0.024082368 0.038528897 0.050557516 0.022906207 -0.012778642 0.015276792 0.032513279 0.015727132 0.025896224 12521 0.024303732 0.030682771 0.11867079 0.017319285 -0.0068199586 -0.017790948 0.1498316 0.0090834449 -0.01785822 0.0010925204 0.032161494 0.0060919968 -0.018271103 0.014107034 12523 0.14823841 0.047471223 0.13000471 0.075877247 0.072146266 0.025779942 0.059624009 0.065986436 0.042989574 0.058088257 0.063674805 0.092616936 0.030834967 0.054726538 12525 0.2587216 0.14192067 0.022433098 0.12608891 0.078585567 0.076702251 0.0857126 0.19747891 0.10865649 0.13479069 0.10033483 0.08917459 0.0707407 0.13677288 12527 0.31796831 0.25395622 0.24411512 0.20119801 0.21225172 0.12820147 0.25990082 0.21139419 0.23002676 0.23038213 0.22131641 0.24222079 0.21919449 0.18802344 12528 0.36363064 0.267518 0.32802131 0.33968587 0.33946381 0.17510701 0.42151985 0.24540587 0.30518549 0.29793565 0.35178105 0.37959406 0.29018757 0.23741429 12530 0.47272735 0.33204483 0.34026059 0.43494205 0.49383433 0.2538856 0.29140602 0.34493143 0.50441193 0.46197326 0.54520599 0.55773522 0.41595207 0.37155514 12531 0.50074366 0.36601437 0.3977601 0.44444594 0.43632673 0.28816516 0.36186975 0.40583117 0.54904821 0.53553685 0.58964051 0.55798355 0.49170672 0.45736529 12533 0.53068537 0.4222403 0.44289457 0.58412142 0.67038544 0.32003312 0.46244957 0.48019481 0.48254979 0.54048548 0.52876125 0.49392187 0.45945139 0.49190208 12534 0.61201787 0.49666442 0.47579814 0.65954694 0.66133071 0.38136129 0.43987636 0.55706186 0.43505583 0.46381613 0.47731173 0.44945919 0.35676792 0.50574111 12536 0.63770563 0.61937952 0.70532717 0.84986608 0.81280624 0.49640249 0.53855746 0.69638775 0.38255412 0.38534348 0.37723282 0.41211506 0.30441712 0.50363503 12537 0.69880823 0.7223481 0.79012439 0.8213165 0.82218797 0.53552805 0.65079288 0.77380591 0.3343869 0.36353195 0.37887204 0.34387921 0.33110331 0.52251523 12539 0.74642747 0.87675469 0.90750905 0.85220714 0.80225008 0.72083643 0.55295717 0.82858377 0.44378636 0.42605215 0.38137494 0.40075537 0.37002954 0.60909278 12541 0.83081976 0.99444614 0.95608544 0.93303413 0.90161594 0.8792339 0.86904092 0.919063 0.53801976 0.54329219 0.53588225 0.55087035 0.49635897 0.70758739 12543 0.81941937 0.93568602 0.96739067 0.91950548 0.92190307 0.98414402 0.86044473 0.90884477 0.64213945 0.65106729 0.63349366 0.65812819 0.62914479 0.76387785 12544 0.91789371 0.8825106 1.0013362 0.9121753 0.93052296 1.0431511 1.0229961 0.91756559 0.71926935 0.71780303 0.6903367 0.68771131 0.67818618 0.80057936 12546 0.91947575 0.84542141 0.8317179 0.96131464 0.92109843 1.1407757 1.0371844 0.89982036 0.88299022 0.80486974 0.83821673 0.81361691 0.84002569 0.86666639 12547 0.87564754 0.8009406 0.87999845 1.0257061 0.91920497 1.1742836 1.1902422 0.91952877 0.86983249 0.85288003 0.89639933 0.89423601 0.78277897 0.91438763 12549 0.92761527 0.84476059 0.83622689 1.0106213 0.94345365 1.1765458 0.8882948 0.93753471 0.88118411 0.90707497 0.95777221 0.93028338 0.87755286 0.93549842 12550 0.94598928 0.86888525 0.8532721 1.0366764 0.89386916 1.1785051 1.0399285 0.94937586 0.95608163 0.92945019 0.92105782 0.99716203 0.90084945 0.94347321 12552 1.0491935 0.86368728 0.92644443 1.063889 0.98363587 1.1832893 1.0208894 0.98470967 0.96498826 0.9844424 1.095447 1.034518 0.93436846 0.99517402 12553 0.98721509 0.96379963 0.90123895 1.0305297 0.9700101 1.1313987 0.9850252 1.0140779 0.94835793 0.94659362 1.0439974 1.0264785 0.93474491 1.0331558 12555 1.0048676 0.96187444 1.0534804 1.0486887 1.0282367 1.1391744 1.15206 1.0167725 0.99780187 1.0203982 1.108966 1.0510754 1.0170903 1.0464305 12557 1.0335489 1.0268322 1.0364173 0.95650673 0.98742451 1.1473788 0.96403539 1.0496914 1.0379973 1.0629357 1.07939 1.0219102 1.0484303 1.0242683 12559 0.96615389 1.0776899 1.064472 0.94920244 0.92436662 1.1294575 0.86714903 0.99524895 1.0578887 1.0506103 1.0536918 1.0762781 1.0566887 0.99238955 12560 0.93792351 1.0829653 1.0975121 0.91980408 0.88361945 1.1281533 0.84979728 0.96561277 1.0228324 1.0415856 1.1075737 1.0271263 1.0113056 0.96363575 12562 0.99074203 1.1383015 1.1632905 0.95734347 0.98359477 1.0828332 1.0462621 1.026316 1.075678 1.0901384 1.1152233 1.1158454 1.0632253 1.0095581 12563 1.0111958 1.1395905 1.1714329 0.94633527 0.99373834 1.0624169 0.97811978 1.0532443 1.1508945 1.1042957 1.1798922 1.1164209 1.1049225 1.0063874 12565 1.0806519 1.1091617 1.1092521 0.99490875 0.94987876 1.0433047 1.0639846 1.0093496 1.1542733 1.1008833 1.1581421 1.1066667 1.105514 1.0237773 12566 1.1396748 1.0501462 1.0520569 0.92250573 0.96215547 0.98933727 1.1183092 0.96097479 1.1438086 1.0935349 1.1872069 1.1017896 1.1636751 1.0199208 12568 1.0875625 1.0746739 1.005871 0.92241603 0.93124712 0.93668635 0.90275332 1.0196116 1.1621763 1.1133249 1.1517087 1.156921 1.1570031 1.0382709 12569 1.0873452 1.0292416 0.98232534 0.92597849 0.96500765 0.93147562 1.0472669 0.99845677 1.1620585 1.1215947 1.1802096 1.1581508 1.1651272 1.0192337 12571 1.0349651 0.99251336 0.92316245 0.92164492 0.9715817 0.9447526 1.0054432 0.96493555 1.1266009 1.1408941 1.1206699 1.1260411 1.1251242 1.0574284 12573 1.0612673 0.97599598 0.97354958 0.94305756 0.98272679 0.89021025 1.0058659 0.9172898 1.1083291 1.1167733 1.1333252 1.1456217 1.1446006 1.0676853 12575 1.068474 0.90290614 0.92434579 0.95414342 0.93962904 0.89229939 1.0096113 0.93275631 1.124996 1.0984787 1.1275088 1.1115491 1.1617366 1.0719407 12576 1.0846738 0.88593642 0.8929536 0.93351575 0.97262773 0.88679197 1.0473223 0.92219075 1.1497888 1.0893313 1.1174445 1.138406 1.1472634 1.0781665 12578 1.040455 0.89510097 0.86834575 0.9310212 0.94263359 0.88670535 1.0415741 0.9387527 1.0549781 1.1149475 1.0676342 1.133341 1.1257418 1.0695732 12579 1.0200707 0.91856944 0.90757258 1.0372856 1.0365793 0.88604392 1.11631 0.92988009 1.0687861 1.1153673 1.0251386 1.1109067 1.0949662 1.1077836 12581 0.97835701 0.88295669 0.80887512 1.0312073 0.96930589 0.88699574 0.85993171 0.94171173 1.0097999 1.0900813 1.111681 0.97770652 1.0849047 1.0628275 12582 0.9957857 0.88286766 0.81143438 1.0281682 0.9356692 0.87558739 0.99305298 0.91630794 1.0606372 1.073452 0.98599186 1.0079439 1.0601013 1.0501461 12584 1.00096 0.89541983 0.97725645 1.0220899 1.0329019 0.91336224 1.0262285 0.98165016 1.0901314 1.04189 1.005063 1.0702363 1.0861954 1.0703252 12585 0.98208827 0.90425509 0.94661874 1.0190508 0.99032632 0.9218324 0.95761147 0.9778232 1.033141 1.0552705 1.0551377 1.1013825 1.0821331 1.0803233 12587 1.0269661 0.91126238 0.84958112 0.93238587 1.0333162 0.90893849 0.9048702 0.92084132 0.99615964 1.0155724 0.98516357 0.95924013 1.046004 1.0163685 12589 1.0330384 0.89102928 0.90856929 0.95662777 0.99600843 0.92608485 0.95845686 0.97723744 1.0440445 0.96902095 0.97568097 1.0241861 1.0028535 1.0497736 12591 1.0807994 0.91336699 0.95503314 0.94918202 1.1220386 0.92979756 0.99827785 1.0426958 0.97265605 0.98740551 0.97042855 1.006144 0.99739214 1.0261825 12592 1.0460463 0.94871263 0.94386092 0.98683699 1.0576745 0.94528949 1.031242 1.0923795 0.9273236 0.98455452 0.98384177 0.97727568 1.079926 1.0195824 12594 1.0067904 0.90246949 0.93524798 1.0069765 1.0296611 0.94545011 0.89922946 1.014883 0.94806543 0.93332679 0.92035389 1.0305531 0.9559094 1.0016498 12595 1.003233 0.95819007 1.0118969 1.0146413 1.0935904 0.94271183 1.0931095 1.0156702 0.99390648 0.94840399 0.92276865 0.98031075 0.98590448 0.9859962 12597 1.0256121 0.98158591 0.96631455 1.0738245 1.098336 0.93128903 0.92454677 1.0533193 0.94175912 0.96652279 0.86167787 0.95583467 0.98754513 0.96753202 12598 1.052494 0.96899631 0.95665129 1.0513578 1.0379335 0.94781114 0.9622577 1.0241811 0.93593637 0.95268389 0.85506825 0.97254974 0.94103215 0.94779746 12600 0.95878754 0.94652392 1.0053786 1.0570681 1.108959 0.93267966 1.1440075 1.0034732 0.94852822 0.9277505 0.85327047 0.98722306 0.95251877 0.98790699 12601 1.0679125 1.031675 1.0009966 1.0327624 1.0124453 1.0075763 0.95909432 1.0669992 0.92087769 0.95411204 0.80309001 0.96915078 0.93917542 0.975477 12603 1.0341395 0.99212504 1.0373505 1.0577116 1.0866705 1.0047453 0.94527666 1.0154447 0.91468914 0.9530812 0.90359204 0.92460928 0.94541624 0.95514381 12605 1.0575585 1.0654739 0.99508791 1.0267831 0.99588173 1.0465914 0.82655511 1.0458988 0.90052778 0.96868556 0.89513173 0.90373189 1.027116 0.9592449 12607 0.95978711 1.0127344 1.1038715 1.0861077 1.0504515 1.0120141 0.8924834 1.0632575 0.97846122 0.92559911 0.88667143 0.90139322 0.97274755 0.93333897 12608 0.94564203 0.9980778 1.0214767 1.0400168 1.03195 1.0539778 0.81959429 1.0530902 0.87448434 0.93601539 0.89500843 0.9364289 0.94850906 0.92920807 12610 0.98465884 1.0188062 1.0259917 1.0362207 0.99866475 0.97872157 0.86311778 1.0344687 0.90791179 0.88108171 0.88906508 0.91799427 0.9547176 0.9324141 12611 1.0041672 1.0291704 1.0282491 1.0343227 0.98202211 0.99080387 0.88487952 1.0251579 0.85315372 0.88243022 0.8860934 0.90877695 0.95782187 0.93401712 12613 1.0431841 1.0498988 1.0327641 1.0305267 0.94873683 1.0149685 0.928403 1.0065363 0.94802495 0.88512724 0.88015005 0.89034231 0.96403041 0.93722315 12614 1.0857583 1.0090599 1.1287276 1.1134498 1.0830599 1.1202763 0.98019606 1.1029255 0.9119764 0.93166566 0.89617188 0.95809337 0.98006357 0.96772892 12616 1.0787244 1.0641008 1.0914445 1.1112381 1.0501708 1.0983826 1.0837822 1.0423087 0.96234164 0.94699405 0.85122629 0.96698698 0.98194634 0.95199109 12617 1.08119 1.0712956 1.0595996 1.0464741 0.96737018 1.1080066 1.0801961 1.0510627 0.93029721 0.96437105 0.92682312 0.9536039 0.95811138 0.98091936 12619 1.0861212 1.048085 1.0748281 1.1045256 1.0507374 1.073998 1.1067261 1.0864463 0.91106869 0.9800674 0.9025349 0.99019653 0.98186512 0.98767822 12621 1.1094456 1.0436745 1.0627446 1.0866116 1.0772716 1.0633787 1.1332561 1.0614314 0.9701863 0.96355126 0.9429684 1.0117401 0.94436399 1.0008843 12623 1.1402381 1.0899306 1.0592621 1.0452148 1.0612953 1.0815511 1.1417483 1.0623335 0.94702453 1.0043154 0.97487104 0.96196412 1.0015295 1.009255 12624 1.158234 1.1059348 1.0921513 1.1332305 1.1422898 1.0743872 1.1098398 1.0463405 0.99927926 1.0038766 0.9535263 0.97780678 1.0115905 0.98955471 12626 1.1417604 1.0443448 0.97640269 1.0390681 1.0467776 1.0804611 1.0460227 1.0316078 0.91768566 1.0214179 1.0497981 0.97917585 1.0515659 1.0292013 12627 1.1259137 1.0193203 1.0981693 1.073045 1.1094879 1.1225566 1.0527213 1.0077973 0.93404504 1.0177084 0.98657464 1.0011254 1.0203061 1.0117644 12629 1.1170972 1.1015278 1.0390064 1.0241507 1.1223091 1.057395 1.0661185 1.0203261 0.98862701 1.0018055 1.071566 1.0096918 1.0242872 0.99047097 12630 1.0926796 1.0626575 0.99916406 1.0531764 1.2011704 1.0615467 1.0815196 1.022939 1.02118 1.017312 1.0538874 1.0089224 1.0210319 1.0102085 12632 1.0858798 1.0606093 1.0638862 1.0849159 1.0783844 1.0327961 1.1455491 0.99377464 1.0091802 1.0156168 1.0728175 1.0073834 1.0266271 1.0020382 12634 1.1739904 1.1393718 1.0745879 1.0488946 1.1076612 1.1172838 1.1640096 1.0094901 1.0137992 1.041928 1.0653795 1.0116968 1.0303661 1.0733836 12636 1.1880507 1.0529694 1.054356 1.0768146 1.1373952 1.0951923 1.0808889 1.0834963 1.0066894 1.0514762 1.0023147 0.98231346 1.0353156 1.0243122 12637 1.1727082 1.036016 1.0913194 1.0844794 1.1140179 1.0730041 1.0654359 1.0480675 1.0038077 1.0164894 1.0659965 1.0476654 1.0044593 1.0226962 12639 1.0639207 1.0205551 1.0363816 1.0324729 1.0739675 1.0471546 0.90446797 1.0179704 1.0151948 0.99153045 1.1018473 1.0066135 1.0585581 0.97856315 12640 1.0382048 1.007749 1.0356212 1.0269346 1.0678331 0.98049519 0.91860322 0.99402055 1.0101516 0.98336437 1.0141593 1.0032995 0.96902946 0.9608062 12642 0.98677319 0.9821367 1.0341003 1.015858 1.0555644 1.0034518 0.94687371 0.94612086 1.008853 0.97617008 1.0112334 0.9966715 0.95841914 0.95783544 12643 0.96105736 0.96933056 1.0333399 1.0103197 1.04943 1.0059222 0.96100895 0.92217101 1.0243266 0.97213342 0.96923131 0.99335749 0.95311398 0.95635006 12645 0.93858229 0.97549136 1.031819 0.99924304 1.0371613 1.0106815 0.98927944 0.94565083 1.0020152 1.017538 1.0404746 0.98672947 0.94250365 0.99449585 12646 0.97146025 1.0013878 1.0244192 1.076932 1.0683316 1.0220198 0.98901611 0.98929294 1.0068229 1.0184485 1.0900558 0.99526569 0.99146434 1.0105754 12648 1.0372162 1.0593816 1.057906 0.99026709 1.0334617 1.0218837 0.98564137 0.97762242 1.0352895 1.0202694 1.0392585 0.97885941 0.97986942 1.0048513 12650 0.94223352 1.0978126 1.0701166 1.0559576 1.0581675 1.0076546 0.96090612 0.98230881 1.0673704 1.0264753 1.0453571 0.97433971 0.97384312 1.0109758 12652 0.92864313 1.0467546 0.99616601 0.98527797 0.99038621 1.0153645 0.92651907 1.0072276 0.9824105 1.0284904 1.0616081 0.9595692 0.98508764 1.0193064 12653 0.87498357 1.0309824 1.0037048 1.0283085 1.0505063 0.95088088 0.90932555 0.98793176 0.98845838 1.0233498 1.0711436 0.9748666 0.92283723 0.9953766 12655 0.99094963 1.0010786 1.0651073 1.0388285 1.0544901 1.004842 0.93490619 0.99348952 1.026138 1.0582878 1.0452338 1.0466828 0.98105188 1.0310794 12656 1.0006267 1.0222504 1.0077611 1.0815762 1.02578 1.0027466 0.8966686 1.0032394 1.0945155 1.020071 1.0545579 1.0027654 0.96835417 1.0034916 12658 1.0343969 1.0486729 1.1195627 1.1167107 1.1502865 1.0073205 0.93633136 1.001154 0.99800391 1.0622917 1.050081 1.0587691 0.97628979 1.0249967 12659 1.0420888 1.0506017 1.0361116 1.0113469 1.0722093 1.0066838 0.95616275 1.008464 1.0886699 1.0538497 0.96401449 0.98453543 0.93397345 1.0480265 12661 0.96090787 1.0332231 1.0232736 1.025262 1.0498335 1.0116039 0.86117511 1.0681215 0.98776435 1.0447389 0.91772934 1.0190561 0.91422735 1.0040306