On the local mode behaviour of the XH2/XD2 and XD/XH fragments with respect to the deuterated species of the near local mode XH3(C3v ) molecule

6533b832fe1ef96bd129a2fd

RESEARCH PRODUCT

On the local mode behaviour of the XH2/XD2 and XD/XH fragments with respect to the deuterated species of the near local mode XH3(C3v ) molecule

Elena Sergeevna Bekhtereva O.n. Ulenikov Claude Leroy

subject

isotopic substitution 010304 chemical physics [ PHYS.QPHY ] Physics [physics]/Quantum Physics [quant-ph]Chemistry Biophysics Mode (statistics)local mode model 010402 general chemistry Condensed Matter Physics 01 natural sciences Diatomic molecule 0104 chemical sciences Crystallography chemistry.chemical_compound Deuterium [PHYS.QPHY]Physics [physics]/Quantum Physics [quant-ph]Computational chemistry 0103 physical sciences Molecule spectroscopic parameters Physical and Theoretical Chemistry Molecular Biology Phosphine

description

International audience; Effect of isotopic substitution in the near local mode, XH3(C3v), molecules is considered. On that basis it is shown that the spectroscopic properties of deuterated and/or di-deuterated isotopic species of the XH3(C3v) molecule with the value of interbond angle close to π/2 are analogous to the spectroscopic properties of its separate fragments: of a three-atomic local mode 'molecule' XH2/XD2 and of a diatomic XD/XH 'molecule'. The phosphine molecule is considered as an illustration.

year	journal	country	edition	language
2009-07-20

https://hal.archives-ouvertes.fr/hal-00448893

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