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- W2073011683 abstract "The UV fluorescence excitation and dispersed fluorescence spectra of jet-cooled p-methylaniline have been obtained for the S1←S0 transition. The main spectral bands have been assigned by comparison with those of other relevant substituted benzenes and with the help of computed vibrational frequencies. The structure of p-methylaniline in both the S0 and S1 states has been studied at ab initio quantum chemical calculations at MP2 and CIS levels of theory using the 6-31+G∗ basis sets. Both low- and high-resolution laser induced fluorescence spectra of p-methylaniline van der Waals complexes with CF3H, CH4 and CF4 have been characterised following jet-expansion investigations. The equilibrium geometries in the ground state of the complexes have been calculated at MP2/6-31+G∗ level of calculation and their rotational contour have been simulated for all the complexes studied." @default.
- W2073011683 created "2016-06-24" @default.
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- W2073011683 date "2002-03-01" @default.
- W2073011683 modified "2023-10-18" @default.
- W2073011683 title "Molecular structure of p -methylaniline and its van der Waals complexes with CF 3 H, CH 4 and CF 4 studied by laser induced fluorescence spectroscopy and ab initio calculations" @default.
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- W2073011683 doi "https://doi.org/10.1016/s0022-2860(01)00784-0" @default.
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