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Ethane (US: / ˈ ɛ θ eɪ n / ETH-ayn, UK: / ˈ iː θ eɪ n / EE-thayn) is a naturally occurring organic chemical compound with chemical formula C 2 H 6. At standard temperature and pressure, ethane is a colorless, odorless gas. Like many hydrocarbons, ethane is isolated on an industrial scale from natural gas and as a petrochemical by ...
The Hückel method or Hückel molecular orbital theory, proposed by Erich Hückel in 1930, is a simple method for calculating molecular orbitals as linear combinations of atomic orbitals. The theory predicts the molecular orbitals for π-electrons in π-delocalized molecules , such as ethylene , benzene , butadiene , and pyridine .
Molecular orbital diagram of dinitrogen. With nitrogen, we see the two molecular orbitals mixing and the energy repulsion. This is the reasoning for the rearrangement from a more familiar diagram. The σ from the 2p is more non-bonding due to mixing, and same with the 2s σ. This also causes a large jump in energy in the 2p σ* orbital.
Chemist Linus Pauling first developed the hybridisation theory in 1931 to explain the structure of simple molecules such as methane (CH 4) using atomic orbitals. [2] Pauling pointed out that a carbon atom forms four bonds by using one s and three p orbitals, so that "it might be inferred" that a carbon atom would form three bonds at right angles (using p orbitals) and a fourth weaker bond ...
Hyperconjugation can be used to rationalize a variety of chemical phenomena, including the anomeric effect, the gauche effect, the rotational barrier of ethane, the beta-silicon effect, the vibrational frequency of exocyclic carbonyl groups, and the relative stability of substituted carbocations and substituted carbon centred radicals, and the thermodynamic Zaitsev's rule for alkene stability.
The qualitative approach of MO analysis uses a molecular orbital diagram to visualize bonding interactions in a molecule. In this type of diagram, the molecular orbitals are represented by horizontal lines; the higher a line the higher the energy of the orbital, and degenerate orbitals are placed on the same level with a space between them.
In ethane, the orbitals are sp 3-hybridized orbitals, but single bonds formed between carbon atoms with other hybridizations do occur (e.g. sp 2 to sp 2). In fact, the carbon atoms in the single bond need not be of the same hybridization. Carbon atoms can also form double bonds in compounds called alkenes or triple bonds in compounds called ...
The molecular orbitals of the system are constructed as symmetric and antisymmetric combinations of σ and σ * C–H bonds in ethane and π and π * bonds in the deutero-substituted ethene. Thus the lowest energy MO is the symmetric sum of the two C–H σ-bond (σ S ), followed by the antisymmetric sum (σ A ).