Theoretical (DFT) and experimental (FT-IR & FT Raman) approach to investigate the molecular geometry and vibrational properties of 2,5- and 2,6-dihydroxytoluenes

P. Venkata Ramana Rao, K. Srishailam, B. Venkatram Reddy, G. Ramana Rao

2021Journal of Molecular Structure14 citationsDOI

Topics & Concepts

ChemistryMoleculeRaman spectroscopyMolecular geometryInfraredBond lengthMolecular physicsHydrogen bondDensity functional theoryFourier transformSpectral linePotential energyValence (chemistry)Fourier transform infrared spectroscopyInfrared spectroscopyComputational chemistryAnalytical Chemistry (journal)Atomic physicsOpticsPhysicsQuantum mechanicsOrganic chemistryChromatographyNonlinear Optical Materials ResearchFree Radicals and AntioxidantsStructural and Chemical Analysis of Organic and Inorganic Compounds

Theoretical (DFT) and experimental (FT-IR &amp; FT Raman) approach to investigate the molecular geometry and vibrational properties of 2,5- and 2,6-dihydroxytoluenes

Topics & Concepts

Theoretical (DFT) and experimental (FT-IR & FT Raman) approach to investigate the molecular geometry and vibrational properties of 2,5- and 2,6-dihydroxytoluenes