Benzene mu miyeso 126
Posachedwapa asayansi a ku Australia anafotokoza za molekyu wa mankhwala amene kwa nthawi yaitali anakopeka nawo. Akukhulupirira kuti zotsatira za kafukufukuyu zikhudza mapangidwe atsopano a ma cell a solar, ma organic light emitting diode ndi matekinoloje ena am'badwo wotsatira omwe akuwonetsa kugwiritsa ntchito benzene.
benzene organic Chemical pawiri kuchokera ku gulu la ma arenes. Ndilosavuta kwambiri la carbocyclic neutral onunkhira hydrocarbon. Ndi, mwa zina, chigawo cha DNA, mapuloteni, nkhuni ndi mafuta. Akatswiri a zamankhwala akhala ndi chidwi ndi vuto la kapangidwe ka benzene kuyambira pomwe adasiyanitsidwa. Mu 1865, katswiri wa zamankhwala wa ku Germany, Friedrich August Kekule, analingalira kuti benzene ndi cyclohexatriene ya ziwalo zisanu ndi imodzi momwe zomangira zimodzi ndi ziwiri zimasinthana pakati pa maatomu a carbon.
Kuyambira m’zaka za m’ma 30, zokambirana zakhala zikuchitika m’magulu a mankhwala okhudza kapangidwe ka molekyulu ya benzene. Mkanganowu wakula mwachangu m'zaka zaposachedwa chifukwa benzene, wopangidwa ndi maatomu asanu ndi limodzi a kaboni omangika ku maatomu asanu ndi limodzi a haidrojeni, ndiye molekyulu yaying'ono kwambiri yomwe ingagwiritsidwe ntchito popanga ma optoelectronics, gawo laukadaulo lamtsogolo. .
Mkangano wozungulira kapangidwe ka molekyulu umachitika chifukwa, ngakhale ili ndi zigawo zochepa za atomiki, imakhalapo m'malo omwe amafotokozedwa mwamasamu osati ndi miyeso itatu kapena inayi (kuphatikiza nthawi), monga tikudziwira kuchokera ku zomwe takumana nazo. mpaka 126 size.
Nambala iyi yachokera kuti? Choncho, ma electron 42 omwe amapanga molekyulu amafotokozedwa m'miyeso itatu, ndipo kuwachulukitsa ndi chiwerengero cha tinthu tating'onoting'ono kumapereka 126 ndendende. Choncho izi si zenizeni, koma masamu. Kuyeza kachitidwe kameneka komanso kakang'ono kwambiri kameneka kwakhala kosatheka, zomwe zikutanthauza kuti khalidwe lenileni la ma electron mu benzene silingadziwike. Ndipo izi zinali vuto, chifukwa popanda chidziwitso ichi sichikanatheka kufotokoza bwino kukhazikika kwa molekyulu muzogwiritsira ntchito zamakono.
Tsopano, komabe, asayansi otsogozedwa ndi Timothy Schmidt wa ARC Center of Excellence in Exciton Science ndi University of New South Wales ku Sydney akwanitsa kuvumbulutsa chinsinsi. Pamodzi ndi ogwira nawo ntchito ku UNSW ndi CSIRO Data61, adagwiritsa ntchito njira yotsogola yozikidwa pa algorithm yotchedwa Voronoi Metropolis Dynamic Sampling (DVMS) ku mamolekyu a benzene kuti apange mapu a kutalika kwa mawonekedwe awo pamitundu yonse. 126 saizi. Algorithm iyi imakupatsani mwayi wogawa malo owoneka ngati "matayilo", chilichonse chomwe chimafanana ndi kuvomereza kwa ma elekitironi. Zotsatira za phunziroli zidasindikizidwa mu nyuzipepala ya Nature Communications.
Chochititsa chidwi kwambiri ndi asayansi chinali kumvetsetsa kwa kuzungulira kwa ma elekitironi. "Zomwe tidapeza zinali zodabwitsa kwambiri," akutero Pulofesa Schmidt m'bukuli. "Ma elekitironi ozungulira mu kaboni amalumikizidwa pawiri m'magawo apansi amphamvu atatu. Kwenikweni, izi zimachepetsa mphamvu ya molekyulu, ndikupangitsa kuti ikhale yokhazikika chifukwa ma elekitironi amakankhidwa ndikuthamangitsidwa. " Kukhazikika kwa molekyulu, nakonso, ndi khalidwe lofunika muzogwiritsira ntchito luso.
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