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Atavin E. G. Golubinskii A. V. Popik M. V. Khristenko L. V. Gloriozov I. P. Salgalov A. A. Ustynyuk Yu. A. Vilkov L. V. 《Russian Chemical Bulletin》2003,52(5):1106-1110
The molecular structure of 6-(N,N-dimethylamino)fulvene was studied by gas-phase electron diffraction and quantum-chemical methods (HF/6-31G(d), MP2/3Z, MP2/4Z, density functional theory with the B3LYP/6-31G(d) and PBE/3Z functionals). Pronounced flattening of the nitrogen atom and equalization of the intracyclic C—C bonds were found to be a consequence of the electron delocalization in the molecule. 相似文献
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