The phenyl polyenic phenyl ketones (shown as below) belong to the forkedconjugative compounds.It is united, through an atom or a group, by three conjugated groups or three conju-gated bonds. Many compounds consisting ...The phenyl polyenic phenyl ketones (shown as below) belong to the forkedconjugative compounds.It is united, through an atom or a group, by three conjugated groups or three conju-gated bonds. Many compounds consisting of the carbonyl group and aromatic ringare typical forked conjugative compounds.展开更多
HeI photoelectron spectra of w-heterocycle a-cyano polyenic ethyl ester compounds (1-6) have been given in this paper. Assignment of the spectra is also done with the aid of HeI photoelectron spectroscopic (PES) resu... HeI photoelectron spectra of w-heterocycle a-cyano polyenic ethyl ester compounds (1-6) have been given in this paper. Assignment of the spectra is also done with the aid of HeI photoelectron spectroscopic (PES) results of smaller molecules which have similar atomic group to the molecules studied, and the aid of MNDO molecules orbital calculations. The lowest PES experimental ionization potentials (IPs in eV) of different molecules reduce gradually with the increasing number of ethylenic group. The -CO2C2H5 group can be only considered as a substituent.展开更多
1 Introduction It has been known from the experiment that two conjugated systems of aromaticheterocyclic carbonyl and phenyl carbonyl groups in the aromatic heterocylic phenylketone compounds are not equivalent and so...1 Introduction It has been known from the experiment that two conjugated systems of aromaticheterocyclic carbonyl and phenyl carbonyl groups in the aromatic heterocylic phenylketone compounds are not equivalent and so are not coplanary. The synhesis展开更多
HeI photoelectron spectrum of B(OCH3)3 is presented in this paper. The assignment of the spectrum has been also done by an analysis of the intensity of the spectrum bands and the optimized MNDO molecular orbital calcu...HeI photoelectron spectrum of B(OCH3)3 is presented in this paper. The assignment of the spectrum has been also done by an analysis of the intensity of the spectrum bands and the optimized MNDO molecular orbital calculation on B(OCH3)3 molecule. The split showing a 1.08eV of the bands at the lowest two ionization potentials (IPs) was assigned to the Jahn-Teller split of the doubly degenerate oxygen lone-pair orbitals. And the splits showing 0.42eV and 0.38eV on the above-mentioned hands were considered as the result of spin-orbital interaction. Therefore the this PES study provides an exceedirlgly experimental example to testify the Jahn-Teller effect and the spin-orbital interaction splitting.展开更多
文摘The phenyl polyenic phenyl ketones (shown as below) belong to the forkedconjugative compounds.It is united, through an atom or a group, by three conjugated groups or three conju-gated bonds. Many compounds consisting of the carbonyl group and aromatic ringare typical forked conjugative compounds.
基金Project supported by the National Natural Science Foundation of China.
文摘 HeI photoelectron spectra of w-heterocycle a-cyano polyenic ethyl ester compounds (1-6) have been given in this paper. Assignment of the spectra is also done with the aid of HeI photoelectron spectroscopic (PES) results of smaller molecules which have similar atomic group to the molecules studied, and the aid of MNDO molecules orbital calculations. The lowest PES experimental ionization potentials (IPs in eV) of different molecules reduce gradually with the increasing number of ethylenic group. The -CO2C2H5 group can be only considered as a substituent.
文摘1 Introduction It has been known from the experiment that two conjugated systems of aromaticheterocyclic carbonyl and phenyl carbonyl groups in the aromatic heterocylic phenylketone compounds are not equivalent and so are not coplanary. The synhesis
文摘HeI photoelectron spectrum of B(OCH3)3 is presented in this paper. The assignment of the spectrum has been also done by an analysis of the intensity of the spectrum bands and the optimized MNDO molecular orbital calculation on B(OCH3)3 molecule. The split showing a 1.08eV of the bands at the lowest two ionization potentials (IPs) was assigned to the Jahn-Teller split of the doubly degenerate oxygen lone-pair orbitals. And the splits showing 0.42eV and 0.38eV on the above-mentioned hands were considered as the result of spin-orbital interaction. Therefore the this PES study provides an exceedirlgly experimental example to testify the Jahn-Teller effect and the spin-orbital interaction splitting.
