C
C. Arunagiri
Researcher at Government Arts College, Coimbatore
Publications - 21
Citations - 166
C. Arunagiri is an academic researcher from Government Arts College, Coimbatore. The author has contributed to research in topics: Hydrogen bond & Crystal structure. The author has an hindex of 7, co-authored 17 publications receiving 122 citations.
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Synthesis, X-ray crystal structure, vibrational spectroscopy, DFT calculations, electronic properties and Hirshfeld analysis of (E) -4-Bromo-N'-(2,4-dihydroxy-benzylidene) benzohydrazide
TL;DR: In this paper, a novel hydrazone Schiff base compound was synthesized effectively by condensation of 4-bromobenzoic hydrazide and 2,4-dihydroxy benzaldehyde.
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Synthesis, crystal structure and theoretical studies of a Schiff base 2-[4-hydroxy benzylidene]-amino naphthalene
C. Arunagiri,Annamalai Subashini,M. Saranya,P. Thomas Muthiah,Kaliyaperumal Thanigaimani,I. Abdul Razak +5 more
TL;DR: The calculated HOMO and LUMO energy reveals that the charge transfer occurs within the molecule, and the molecule contains a molecule of a Schiff base.
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Vibrational spectroscopic (FT-IR and FT-Raman), first-order hyperpolarizablity, HOMO, LUMO, NBO, Mulliken charges and structure determination of 2-bromo-4-chlorotoluene
TL;DR: The Mulliken charges, the natural bonding orbital (NBO) analysis, the values of electric dipole moment and the first-order hyperpolarizability of the investigated molecule were computed using DFT calculations and the calculated HOMO and LUMO energies show that charge transfer occurs within molecule.
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Vibrational spectra (experimental and theoretical), molecular structure, natural bond orbital, HOMO-LUMO energy, Mulliken charge and thermodynamic analysis of N'-hydroxy-pyrimidine-2-carboximidamide by DFT approach.
TL;DR: The FT-IR, FT-Raman, (1)H, (13)C NMR and UV-Visible spectral measurements of N'-hydroxy-pyrimidine-2-carboximidamide (HPCI) and complete analysis of the observed spectra have been proposed and the structural parameters of the compound were determined from the optimized geometry with 6-311+G(d,p) basis set, giving energies, harmonic vibrational frequencies and force constants.
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Crystal structure, hydrogen bonding, Hirshfeld surface analysis and inhibition efficiency of a Schiff base 2-methoxy-6-(naphthalene-2-yliminomethyl)-phenol
TL;DR: The asymmetric unit of Schiff base of the title molecule, C18H15NO2, was synthesized from naphthalen-2-ylamine and 2-hydroxyl-3-methoxy-benzaldehyde as discussed by the authors.