Benzene ma 126 ana
Ua wehewehe aku nei nā kānaka ʻepekema Australia i kahi mole kemika i hoʻopaʻa lōʻihi i ko lākou nānā. Manaʻo ʻia ʻo ka hopena o ke aʻo ʻana e hoʻohuli i nā hoʻolālā hou o nā cell solar, organic light emitting diodes a me nā ʻenehana hou aʻe e hōʻike ana i ka hoʻohana ʻana i ka benzene.
benzene mea hoʻohui kemika mai ka hui o nā arenes. ʻO ia ka carbocyclic neutral aromatic hydrocarbon maʻalahi. ʻO ia, ma waena o nā mea ʻē aʻe, he ʻāpana o ka DNA, nā protein, ka lāʻau a me ka ʻaila. Ua hoihoi ka poʻe kemika i ka pilikia o ke ʻano o ka benzene mai ka wā i hoʻokaʻawale ʻia ai ka hui. I ka makahiki 1865, ua kuhi ke kanaka kemika Kelemania ʻo Friedrich August Kekule, ʻo ka benzene he cyclohexatriene ʻeono i hoʻopaʻa ʻia i hoʻokahi a me nā paʻa pālua ma waena o nā mana kalapona.
Mai ka makahiki 30, ke hele nei nā kūkākūkā ma nā pōʻai kemika e pili ana i ke ʻano o ka mole benzene. Ua hoʻonui hou ʻia kēia hoʻopaʻapaʻa i nā makahiki i hala iho nei no ka mea ʻo benzene, i hana ʻia i ʻeono mau kalapona kalapona i hoʻopaʻa ʻia i ʻeono hydrogen atoms, ʻo ia ka mole liʻiliʻi i ʻike ʻia e hiki ke hoʻohana ʻia i ka hana ʻana o optoelectronics, kahi ʻenehana o ka wā e hiki mai ana. .
Ke kū nei ka hoʻopaʻapaʻa e pili ana i ke ʻano o ka molekala no ka mea, ʻoiai he liʻiliʻi kona mau ʻāpana atomic, aia ia ma kahi mokuʻāina i wehewehe ʻia ma ka makemakika ʻaʻole e ʻekolu a ʻehā paha ana (me ka manawa), e like me kā mākou i ʻike ai, akā. a hiki i 126 nui.
No hea mai kēia helu? No laila, ua wehewehe ʻia kēlā me kēia o nā electrons 42 i hana i ka mole i ʻekolu anana, a ʻo ka hoʻonui ʻana iā lākou me ka helu o nā ʻāpana e hāʻawi pololei i ka 126. No laila ʻaʻole maoli kēia, akā nā ana makemakika. ʻAʻole hiki ke ana i kēia ʻōnaehana paʻakikī a liʻiliʻi loa, ʻo ia hoʻi, ʻaʻole hiki ke ʻike ʻia ke ʻano pololei o nā electrons i benzene. A he pilikia kēia, no ka mea, me ka ʻole o kēia ʻike ʻaʻole hiki ke wehewehe piha i ke kūpaʻa o ka mole i nā noi ʻenehana.
I kēia manawa, akā naʻe, ua hoʻokō nā kānaka ʻepekema i alakaʻi ʻia e Timothy Schmidt o ka ARC Center of Excellence in Exciton Science a me ke Kulanui o New South Wales ma Sydney i ka wehe ʻana i ka mea huna. Me nā hoa hana ma UNSW a me CSIRO Data61, ua hoʻohana ʻo ia i kahi ala algorithm-based maʻalahi i kapa ʻia ʻo Voronoi Metropolis Dynamic Sampling (DVMS) i nā molekala benzene e palapala i kā lākou mau hana hawewe ma luna o nā mea āpau. 126 nui. Hāʻawi kēia algorithm iā ʻoe e puʻunaue i ka nui i loko o nā "tiles", kēlā me kēia me nā permutations o nā kūlana o nā electrons. Ua paʻi ʻia nā hopena o kēia haʻawina ma ka puke pai Nature Communications.
ʻO ka hoihoi nui i ka poʻe ʻepekema ka hoʻomaopopo ʻana i ka wili o nā electrons. "He mea kāhāhā loa ka mea a mākou i ʻike ai," wahi a Professor Schmidt i ka puke. “Ua hoʻopaʻa ʻia nā electrons spin-up i carbon i nā hoʻonohonoho ʻekolu-dimensional haʻahaʻa. ʻO ka mea nui, hoʻohaʻahaʻa kēia i ka ikehu o ka mole, e ʻoi aku ka paʻa ma muli o ke kipaku ʻia ʻana o nā electrons a hoʻihoʻi ʻia. " ʻO ke kūpaʻa o kahi mole, he ʻano makemake i nā noi ʻenehana.
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