Abstract
Bu calismada B 6-n C n H n (n=0-6) serilerinin yapisal ve enerji ozellikleri yogunluk fonksiyonel teorisi kullanilarak arastirildi. Adyabatik iyonizasyon potansiyeli (AIP), dogrudan iyonizasyon potansiyeli (VIP), adyabatik elektron ilgisi (AEA), dogrudan elektron ilgisi (VEA), dogrudan ayrilma enerjisi (VDE), HOMO-LUMO enerji araligi (E g ) ve baglanma enerjisi B3LYP/6-311++G** teori seviyesinde incelendi ve en kararli izomerler tartisildi. Yuk dagilimi ve cekirdekten bagimsiz kimyasal kayma analizleri de gerceklestirildi. B 2 C 4 H 4 and C 6 H 6 serileri IP, EA ve E g hesaplamalari sonucunda en kararli seriler olarak bulunmustur. Benzen tipi yapi BC 5 H 5 (n=5) serisi icin en kararli isomer olarak bulunmustur ve bu yapi benzen kadar aromatik olabilir.
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