Structural and electronic properties of borazine cyclacenes

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Atıf İçin Kopyala

Erkoc S.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.540, ss.153-156, 2001 (SCI-Expanded)

• Yayın Türü: Makale / Tam Makale
• Cilt numarası: 540
• Basım Tarihi: 2001
• Doi Numarası: 10.1016/s0166-1280(00)00735-1
• Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
• Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
• Sayfa Sayıları: ss.153-156
• Orta Doğu Teknik Üniversitesi Adresli: Hayır

Özet

The structural and electronic properties of borazine cyclacenes (BNn) have been investigated by performing semiempirical molecular orbital self-consistent field calculations at the level of AM1 method within the RHF formulation. It has been found that as the number of borazine rings increases in the arenoid belt the structures become more exothermic. (C) 2001 Elsevier Science B.V. All rights reserved.