Molecular structure of calcium, magnesium, strontium and barium m-nitrobenzoates. Issue 3 (2010)
- Record Type:
- Journal Article
- Title:
- Molecular structure of calcium, magnesium, strontium and barium m-nitrobenzoates. Issue 3 (2010)
- Main Title:
- Molecular structure of calcium, magnesium, strontium and barium m-nitrobenzoates
- Authors:
- Samsonowicz Samsonowicz, Mariola Mariola
- Abstract:
- Abstract : The effect of calcium, magnesium, strontium and barium ions on the electronic structure of m-nitrobenzoates was studied. The FT-IR spectra of m-nitrobenzoic acid and its salts were registered, assigned and analyzed. Characteristic shifts and changes in intensities of bands along the metal series were observed. The structures of m-nitrobenzoic acid and its calcium, magnesium, strontium and barium salts were optimized at the B3LYP/LANL2DZ level. Geometric aromaticity indices, atomic charges, dipole moments and energies were also calculated.
- Is Part Of:
- Spectroscopy. Volume 24:Issue 3/4(2010)
- Journal:
- Spectroscopy
- Issue:
- Volume 24:Issue 3/4(2010)
- Issue Display:
- Volume 24, Issue 3/4 (2010)
- Year:
- 2010
- Volume:
- 24
- Issue:
- 3/4
- Issue Sort Value:
- 2010-0024-NaN-0000
- Page Start:
- 433
- Page End:
- 437
- Publication Date:
- 2010
- Subjects:
- Calcium -- magnesium -- strontium -- barium m-nitrobenzoates -- FT-IR -- DFT -- molecular structure
- DOI:
- 10.3233/SPE-2010-0443 ↗
- Languages:
- English
- ISSNs:
- 0712-4813
- Deposit Type:
- Legaldeposit
- View Content:
- Available online (eLD content is only available in our Reading Rooms) ↗
- Physical Locations:
- British Library HMNTS - ELD Digital store
- Ingest File:
- 11120.xml