Can I read 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 on EtoBox?

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 by B Ballesteros; E Martı́nez; L Santos; J Sanchez-Marı́n is a Chemistry article available to read on EtoBox.

What is 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 about?

The UV ̄uorescence excitation and dispersed ̄uorescence spectra of jet-cooled p-methylaniline have been obtained for the S 1 Ã S 0 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 S 0 and S 1 states has been studied at ab initio quantum chemical calculations at MP2 and CIS levels of theory using the 6-31 1 G p basis sets. Both lowand high-resolution laser induced ̄uorescence spectra of p-methylaniline van der Waals complexes with CF 3 H, CH 4 and CF 4 have been characterised following jet-expansion investigations. The equilibrium geometries in the ground state of the complexes have been calculated at MP2/6-31 1 G p level of calculation and their rotational contour have been simulated for all the complexes studied.

Who reads 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?

Author

B Ballesteros; E Martı́nez; L Santos; J Sanchez-Marı́n

Publisher

Elsevier Science; Elsevier ; Elsevier BV (ISSN 0022-2860)

Published

2002

Language

EN

Field

Chemistry (Physical Sciences)