Naslov
Periodic cages

Autori
Diudea, Mircea V. ; Silaghi-Dumitescu, Ioan ; Graovac, Ante

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
Book of Abstracts MATH/CHEM/COMP 2003 / Graovac, Ante ; Pokrić, Biserka ; Smrečki, Vilko - Zagreb : Institut Ruđer Bošković, 2003

Skup
MATH/CHEM/COMP 2003 - The 18th Dubrovnik International Course & Conference on the Interfaces among Mathematics, Chemistry and Computer Sciences

Mjesto i datum
Dubrovnik, Hrvatska, 23.06.2003. - 28.06.2003

Vrsta sudjelovanja
Predavanje

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
fullerenes; phenylenic nanotubes; closed shell pi-electronic structure; new "zig-zag" cylinder rule

Sažetak
Building of periodic cages starting from phenylenic tubes is illustrated. Spectral data revealed some periodicity in fullerene clusters. The well-known "armchair" cylinder rule predicting properly closed shell pi-electronic structure in tubulenes of nuclearity N = 2k(7 + 3m), m = 0, 1, 2, ?, k = 4 to 7 (k being the size of polar ring), is completed by another cylinder rule. Objects of general formula C13k, k-H[3k, n]-[6] with N =13k + 3kn, n = 1, 2, ..., represent properly closed shell fullerenes, and the rule is named "zig-zag" cylinder rule after the type of nanotube between two caps. Semiempirical calculations support these findings. A constitutive typing enumeration is also given.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA