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Molecular and Electronic Structure and Gas-Phase Pyrolytic Generation of 7,7′-Dioxasesquinorbornenes

✍ Scribed by Ivana Antol; Mirjana Eckert-Maksić; Davor Margetić; Zvonimir B. Maksić; Klaus Kowski; Paul Rademacher

Publisher
John Wiley and Sons
Year
1998
Tongue
English
Weight
262 KB
Volume
1998
Category
Article
ISSN
1434-193X

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✦ Synopsis

Structural and photoelectron spectroscopic (PES) features of available neutron diffraction and X-ray data. It is also shown that the anti isomer is less stable than the syn isomer of 2, in 7,7Ј-dioxa analogs of syn-(syn-2) and anti-sesquinorbornenes (anti-2) are investigated. It is shown that the accordance with the stability ordering of syn-1 and anti-1.

Finally, PES evidence for the formation of anti-2 upon B3LYP/6-31G* and B3PW91/6-31G* DFT methods are wellsuited for studying the geometrical properties of large pyrolytic decomposition of the corresponding β-lactone is given and discussed. organic molecules containing nonplanar double bonds, as is evident from comparisons with MP2/6-31G* results and the

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