The Jahn-Teller effect in the presence of partial isotopic substitution: the B̃(1)E'' state of NH2D and NHD2.

The Jahn–Teller effect in the presence of partial isotopic substitution: the B̃E00 state of NH2D and NHD2†

ABSORPTION CROSS SECTIONS OF NH3, NH2D, NHD2, AND ND3 IN THE SPECTRAL RANGE 140Y220 nm AND IMPLICATIONS FOR PLANETARY ISOTOPIC FRACTIONATION

Cross sections for photoabsorption of NH3, NH2D, NHD2, and ND3 in the spectral region 140Y220 nm were determined at 298 K using synchrotron radiation. Absorption spectra of NH2D and NHD2 were deduced from spectra of mixtures of NH3 and ND3, of which the equilibrium concentrations for all four isotopologues obey statistical distributions. Cross sections of NH2D, NHD2, and ND3 are new. Oscillator...

Photoabsorption cross sections of NH3, NH2D, NHD2, and ND3 in the spectral range 110-144 nm.

Cross sections for photoabsorption of NH3, NH2D, NHD2, and ND3 near 298 K were measured in the spectral range of 110-144 nm using radiation from a synchrotron. Absorption cross sections and oscillator strengths of NH3 agree satisfactorily with previous reports; those of ND3 are improved over those in a previous report, whereas those of NH2D and NHD2 are new. The oscillator strengths of transiti...

A Computational Study to Find the Vibrational Modes Connected with Specific Molecular Structures of Calculated Compound

The purpose of this research is to provide a deeper understanding of the planar high- symmetry configuration instability. In the ideal case, the distortion corresponds to the movements of nuclei along normal modes that belong to non-totally symmetric irreps of the high symmertry (HS) point group of molecule. The analysis of the structural distortion from the HS nuclear arrangements of the JT ac...

NH2D, NHD2, and ND3: II. Predissociation dynamics of the à state. ∗

Using microwave detected, microwave-optical double resonance, we have measured the homogeneous linewidths of individual rovibrational transitions in the à state of NH3, NH2D, NHD2, and ND3. We have used this excited state spectroscopic data to characterize the height of the dissociation barrier and the mechanisms by which the molecule uses its excess vibrational and rotational energies to help ...