Naslov
7-Oxanorbornene cycloadducts. X-ray, molecular orbital and photoelectron spectroscopic study

Autori
Eckert-Maksić, Mirjana ; Novak Doumbouya, Nana ; Kiralj, Rudolf ; Kojić Prodić, Biserka

Izvornik
Journal of the Chemical Society. Perkin transactions. II (0300-9580) 7 (2000); 1483-1487

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
7-oxanorbornenes ; ab initio ; x-ray

Sažetak
Structural (X-Ray and MP2(fc)/6-31G*) features of 1, 4:5, 8-diepoxynaphthalenes 1 and 2 are reported. The extent of endo bending of the olefinic hydrogens is estimated from the calculated structures and compared with the X-ray data. The computed out-of-plane angles are 7.6 and 6.8 deg. in 1 and 2, respectively. Photoelectron spectroscopic data of diepoxynaphthalenes 1 and 2 and their higher analogue 3 are discussed and interpreted in terms of through-space and through-bond interaction of the oxygen lone pairs and their interactions with the olefinic pi-orbital.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

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