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|Title:||UPS study of intramolecular interactions|
|Authors:||Novak, I. |
|Citation:||Novak, I., Kovač, B. (2001-02). UPS study of intramolecular interactions. Journal of Electron Spectroscopy and Related Phenomena 113 (2-3) : 175-177. ScholarBank@NUS Repository. https://doi.org/10.1016/S0368-2048(00)00422-9|
|Abstract:||HeI photoelectron spectra (UPS) of pyrazabole and cubane-1,4-dicarboxylic acid dimethyl ester were recorded and analyzed using semi-empirical calculations. The efficiency of BH2 fragment in relaying interactions between pyrazole rings was determined. The cubane ester was studied because of possible through-bond interactions between carboxyl groups relayed via the rigid cubane skeleton. The energies of orbitals associated with COOMe group fall within the energy level gap between t2g+t2u and eg manifolds in cubane and it is interesting to determine which mechanism is operational for COOMe-COOMe interactions.|
|Source Title:||Journal of Electron Spectroscopy and Related Phenomena|
|Appears in Collections:||Staff Publications|
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