Benzene nyob rau hauv 126 qhov ntev
Cov kws tshawb fawb Australian tsis ntev los no tau piav qhia txog cov tshuaj molecule uas tau nyiam lawv lub sijhawm ntev. Nws ntseeg tau tias qhov tshwm sim ntawm txoj kev tshawb no yuav cuam tshuam cov qauv tshiab ntawm lub hnub ci hlwb, cov teeb pom kev zoo ntawm cov diodes thiab lwm yam thev naus laus zis uas qhia txog kev siv benzene.
tshuaj benzene organic chemical compound los ntawm pawg ntawm arenes. Nws yog qhov yooj yim tshaj plaws carbocyclic nruab nrab aromatic hydrocarbon. Nws yog, ntawm lwm yam, ib feem ntawm DNA, proteins, ntoo thiab roj. Chemists tau xav txog qhov teeb meem ntawm cov qauv ntawm benzene txij li kev sib cais ntawm cov compound. Xyoo 1865, German chemist Friedrich Lub Yim Hli Kekule tau xav tias benzene yog rau-tus tswvcuab cyclohexatriene uas ib leeg thiab ob daim ntawv cog lus sib hloov ntawm cov pa roj carbon atoms.
Txij li thaum xyoo 30s, kev sib tham tau tshwm sim hauv cov voj voog tshuaj txog cov qauv ntawm benzene molecule. Qhov kev sib cav no tau ua rau muaj kev kub ntxhov ntxiv nyob rau xyoo tas los no vim tias benzene, ua los ntawm XNUMX carbon atoms sib koom ua ke rau rau hydrogen atoms, yog qhov tsawg tshaj plaws paub molecule uas tuaj yeem siv rau hauv kev tsim khoom ntawm optoelectronics, thaj chaw thev naus laus zis yav tom ntej. .
Qhov kev tsis sib haum xeeb nyob ib puag ncig cov qauv ntawm cov molecule tshwm sim vim hais tias, txawm hais tias nws muaj ob peb lub atomic Cheebtsam, nws muaj nyob rau hauv lub xeev uas yog lej piav tsis yog peb lossis plaub qhov ntev (nrog rau lub sijhawm), raws li peb paub los ntawm peb qhov kev paub, tab sis. mus txog 126 qhov ntau thiab tsawg.
Tus lej no tuaj qhov twg? Yog li ntawd, txhua tus ntawm 42 electrons uas ua rau lub molecule tau piav nyob rau hauv peb qhov ntev, thiab muab lawv los ntawm tus lej ntawm cov khoom muab 126. Yog li cov no tsis yog tiag, tab sis kev ntsuas lej. Kev ntsuas ntawm no complex thiab me me system kom deb li deb tau ua pov thawj tsis yooj yim sua, uas txhais tau hais tias tus cwj pwm tseeb ntawm cov electrons nyob rau hauv benzene yuav tsis paub. Thiab qhov no yog ib qho teeb meem, vim hais tias tsis muaj cov ntaub ntawv no nws yuav tsis muaj peev xwm piav qhia txog kev ruaj ntseg ntawm cov molecule hauv kev siv technology.
Tam sim no, txawm li cas los xij, cov kws tshawb fawb coj los ntawm Timothy Schmidt ntawm ARC Center of Excellence hauv Exciton Science thiab University of New South Wales hauv Sydney tau tswj xyuas qhov tsis paub tseeb. Ua ke nrog cov npoj yaig ntawm UNSW thiab CSIRO Data61, nws tau siv cov txheej txheem sophisticated algorithm-raws li txoj kev hu ua Voronoi Metropolis Dynamic Sampling (DVMS) rau benzene molecules los qhia lawv cov wavelength ua haujlwm thoob plaws txhua qhov. 126 qhov ntau thiab tsawg. Qhov algorithm no tso cai rau koj los faib qhov chaw seem rau hauv "cov vuas", txhua qhov sib raug rau kev hloov pauv ntawm txoj haujlwm ntawm cov hluav taws xob. Cov txiaj ntsig ntawm txoj kev tshawb no tau luam tawm hauv phau ntawv xov xwm Nature Communications.
Tshwj xeeb tshaj yog txaus siab rau cov kws tshawb fawb yog qhov kev nkag siab ntawm kev tig ntawm electrons. "Qhov peb pom yog qhov xav tsis thoob," xibfwb Schmidt sau tseg hauv kev tshaj tawm. "Lub spin-up electrons nyob rau hauv carbon yog ob-bonded rau hauv qis-zog peb-dimensional configurations. Qhov tseem ceeb, nws txo qis lub zog ntawm cov molecule, ua rau nws ruaj khov vim tias cov electrons raug thawb tawm thiab rov ua dua. " Lub stability ntawm ib tug molecule, nyob rau hauv lem, yog ib tug ntshaw tus yam ntxwv nyob rau hauv kev siv.
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