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  2. Linear molecular geometry - Wikipedia

    en.wikipedia.org/wiki/Linear_molecular_geometry

    Neutral AX 2 molecules with linear geometry include beryllium fluoride (F−Be−F) with two single bonds, [1] carbon dioxide (O=C=O) with two double bonds, hydrogen cyanide (H−C≡N) with one single and one triple bond. The most important linear molecule with more than three atoms is acetylene (H−C≡C−H), in which each of its carbon ...

  3. Vibrational spectroscopy of linear molecules - Wikipedia

    en.wikipedia.org/wiki/Vibrational_spectroscopy...

    Example of a linear molecule. N atoms in a molecule have 3N degrees of freedom which constitute translations, rotations, and vibrations.For non-linear molecules, there are 3 degrees of freedom for translational (motion along the x, y, and z directions) and 3 degrees of freedom for rotational motion (rotations in R x, R y, and R z directions) for each atom.

  4. Energy minimization - Wikipedia

    en.wikipedia.org/wiki/Energy_minimization

    As described above, some method such as quantum mechanics can be used to calculate the energy, E(r) , the gradient of the PES, that is, the derivative of the energy with respect to the position of the atoms, ∂E/∂r and the second derivative matrix of the system, ∂∂E/∂r i ∂r j, also known as the Hessian matrix, which describes the curvature of the PES at r.

  5. Molecular geometry - Wikipedia

    en.wikipedia.org/wiki/Molecular_geometry

    Linear: In a linear model, atoms are connected in a straight line. The bond angles are set at 180°. For example, carbon dioxide and nitric oxide have a linear molecular shape. Trigonal planar: Molecules with the trigonal planar shape are somewhat triangular and in one plane (flat). Consequently, the bond angles are set at 120°.

  6. Straight-chain terminal alkene - Wikipedia

    en.wikipedia.org/wiki/Straight-chain_terminal_alkene

    Straight-chain terminal alkenes, also called linear alpha olefins (LAO) or normal alpha olefins (NAO), are alkenes (olefins) having a chemical formula C n H 2n, distinguished from other alkenes with a similar molecular formula by being terminal alkenes, in which the double bond occurs at the alpha (α-, 1-or primary) position, and by having a linear (unbranched) hydrocarbon chain.

  7. Molecular orbital diagram - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_diagram

    For a diatomic molecule, an MO diagram effectively shows the energetics of the bond between the two atoms, whose AO unbonded energies are shown on the sides. For simple polyatomic molecules with a "central atom" such as methane (CH 4) or carbon dioxide (CO 2), a MO diagram may show one of the identical bonds to the central atom. For other ...

  8. Open-chain compound - Wikipedia

    en.wikipedia.org/wiki/Open-chain_compound

    In chemistry, an open-chain compound (or open chain compound) or acyclic compound (Greek prefix α 'without' and κύκλος 'cycle') is a compound with a linear structure, rather than a cyclic one. [1] An open-chain compound having no side groups is called a straight-chain compound (also spelled as straight chain compound).

  9. Degrees of freedom (physics and chemistry) - Wikipedia

    en.wikipedia.org/wiki/Degrees_of_freedom_(physics...

    A diatomic molecule has one molecular vibration mode: the two atoms oscillate back and forth with the chemical bond between them acting as a spring. A molecule with N atoms has more complicated modes of molecular vibration, with 3N − 5 vibrational modes for a linear molecule and 3N − 6 modes for a nonlinear molecule. [4]