$AB~INITIO$ STUDY OF VIBRATIONAL SPECTRA OF LITHIUM PERCHLORATE AND NITRATE

Authors

  • L. S. Gabrielian Chair of Physical and Colloids Chemistry, YSU, Armenia

DOI:

https://doi.org/10.46991/PYSU:B/2004.38.1.051

Keywords:

perchlorate and nitrate anions, quantum chemical methods, ion pairs, RHF/6-31+G(d) and B3LYP/6-31+G(d) levels

Abstract

The perchlorate and nitrate anions, and also ion pairs Li+ClO$^–_4$ and Li+NO$^–_3$ have been studied by ab initio quantum chemical methods. Calculation of geometry and vibrational frequencies for the free anions and for monodentate, bidentate and tridentate structures of ion pairs has been performed at the RHF/6-31+G(d) and B3LYP/6-31+G(d) levels.

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Published

2003-12-28

How to Cite

Gabrielian, L. S. 2003. “$AB~INITIO$ STUDY OF VIBRATIONAL SPECTRA OF LITHIUM PERCHLORATE AND NITRATE”. Proceedings of the YSU B: Chemical and Biological Sciences 38 (1 (203):51-58. https://doi.org/10.46991/PYSU:B/2004.38.1.051.

Issue

Vol. 38 No. 1 (203) (2004)

Section

Chemistry

License

Copyright (c) 2003 Proceedings of the YSU

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