Wednesday, November 12, 2025

Vibrational Assignment in VEDA4 (FT-IR Analysis) – Complete Step-by-Step Tutorial

Vibrational Assignment in VEDA4 (FT-IR Analysis) – Complete Step-by-Step Tutorial



Prepare files: Convert a Gaussian software's chk file to fchk, then to an fmu file (0:40-2:18).

Download VEDA: Download the VEDA4 software and its supporting MSVB DL file from a website (2:25-2:49). Setup VEDA: Copy and paste the VEDA4 application and the DL file into the folder containing your molecular data (3:11-3:47). Run VEDA: Drag and drop the fmu file onto the VEDA4 application to open it (3:52-4:03). Calculate: Inside VEDA, click "Create DD2" and then "Calculate" (4:17-4:29). Wait until "end of calculation" appears (4:34-4:40). Extract Data: Exit VEDA (4:44-4:50). A new skd2 file will be created, which you can open in Notepad to see vibrational data like stretching, bending, and torsion angles (4:55-5:36). This data can then be tabulated for research.

Sunday, May 17, 2020

General Chemistry

General Chemistry
B.Sc/BS/Undergraduate General Chemistry notes, being updated!! organic, inorganic, physical and Analytical notes on DOWNLOAD page or hover over DOWNLOAD tab. Comeback to download complete notes for FREE!

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B.Sc. General Chemistry notes:
  1. Atomic structure - Aufban principle, Hund’s rule and electronic configurations of elements – stability of half filled and completely filled, orbital — shapes of S, P, d and f orbitals. S, P, d and f blok elements – classification and characteristic properties – DOWNLOAD

  2. Periodicity of Properties – Definition and periodicity of the following properties – atomic radii, ionic radii. ionisation potential, electron affinity and electronegativity (no determination) and diagonal relationship with examples – (a) DOWNLOAD (b) DOWNLOAD (c)DOWNLOAD (d) DOWNLOAD

  3. Bonding in chemistry – Bonds and molecules, Observable properties of chemical bonds, Why do chemical bonds form?, The shared-electron model of chemical bonding, Polar and nonpolar bonds, The Shapes of Molecules: the VSEPR model, Hybrid orbitals: the valence bond model, The molecular orbital Model, Bonding in coordination complexes, Bonding in metals and semiconductors-DOWNLOAD

  4. Principles of inorganic Analysis – Principles of acid base equilibria, commonion effect and solubitity product and their applications in qualitative analysis. Reactions involved in the separation and identification of cations and anions in the analysis – (a) DOWNLOAD (b) DOWNLOAD (c) DOWNLOAD (d) DOWNLOAD(e) DOWNLOAD (f) DOWNLOAD

  5. Nomenclature of organic compounds - IUPAC recommendations for naming simple aliphatic, alicyclic and aromatic compounds – (a) DOWNLOAD (b) DOWNLOAD

  6. Free radical reactions - Mechanism of free radical substitution in alkanes, Halogenation of Alkanes, Chlorination versus Bromination, Stereochemistry of Halogenation, Radical Halogenation at an Allylic Carbon, Radical Additions to Double Bonds, free radical polymerization – DOWNLOAD

  7. Alkenes – General methods of preparation properties of alkenes – electrophilic and free radical addition – addition reactions with hydrogen, halogens, hydrogen halide (mark ownikoffs rule) hydrogen bromide (peroxide effect) sulphuric acid, water, hydroboration, ozonolysis, hydroxylation with KMnO4 – (a) DOWNLOAD (b)DOWNLOAD (c) DOWNLOAD

  8. Quantum Chemistry - Planck’s theory – photo electric effect – compton effect – de Broglie’s relationship Heisenberg’s uncertaimty principle – Schrodinger wave equation (no derivation) – significance of wave functions – probability distribution of electrons – radial probability distribution curves – (a) DOWNLOAD (b) DOWNLOAD (c)DOWNLOAD

  9. Gaseous State – Gas Laws from the kinetic theory of gases. Transport properties – viscosity – thermal conductivity – diffusion – Maxwell’s distribution of molecular velocities (no derivation) – mean – rms, most probable, velocity equi partition of energy – heat capacity -  (a) DOWNLOAD (b) DOWNLOAD (c) DOWNLOAD (d) DOWNLOAD(e) DOWNLOAD

  10. Types of Chemical Bonds - Lewis Dot Structures for Elements, Formation of Ionic Solids, Born-Haber Cycle for the Formation of NaCl, Lattice Energy, Properties of Ionic Compounds, Electronegativity and Bond Polarity, Resonance Structures, Bond Energies, Bond Lengths – DOWNLOAD (b) DOWNLOAD (c)DOWNLOAD (d) DOWNLOAD

  11. Ionic Bonds - Formation of Cations & Anions, Ionic Bond Formation, Polyatomic ions, Properties of Ionic Compounds, Born-Haber Cycle, Born-Haber Cycle for NaCl – (a) DOWNLOAD (b)DOWNLOAD (c)DOWNLOAD (d) DOWNLOAD

  12. Valence-Shell Electron-Pair Repulsion (VSEPR) model, Molecular orbital(MO) theory, Valance bond(VB) theory - The Basic VSEPR Shapes, Summary of VSEPR Shapes, Molecular Shape and Polarity, using VSEPR to predit shape, VB theory, Hybrid Orbitals, Molecular Orbital Theory, H2 Molecule, MO Theory and Other Diatomic Molecules, Combining VB and MO Theory, VSEPRgeometries – (a) DOWNLOAD (b) DOWNLOAD (c) DOWNLOAD (d)DOWNLOAD (e) DOWNLOAD (f) DOWNLOAD (g) DOWNLOAD

 

More notes to help you out:


Ap Chemistry Notes – Solubility Rules, Poly Atomic Naming, Common Units, Constants and Charges, Atomic Theory, Naming, Blackbody Radiation, Bohr Model, Wavelength, Quantum Values, Periodicity, Nuclear Chemistry, Ionization and Affinity, Reactions of Metals, Chemical Bonds, Lewis Structures, Lattice Energies of Ionic Solids, Electronegativity, Bond Lengths of Covalent Bonds, Electronegativity, VSEPR, Functional Groups, Complex Ions, Acidic and Basic Redox, Thermodynamics, Chemical Kineticsand Rate Laws, Equilibrium, Gas Laws, Acids and Bases, Equilibrium of Saturated, Soluable Salts, Kinetic Molecular Theory, Electro Chemistry, Balancing Redox Reactions – DOWNLOAD

 

Random Notes:


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