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In chemistry, molecular orbital theory (MO theory or MOT) is a method for describing the electronic structure of molecules using quantum mechanics. It was proposed early in the 20th century. It was proposed early in the 20th century.
Robert Sanderson Mulliken ForMemRS [1] (June 7, 1896 – October 31, 1986) was an American physical chemist, primarily responsible for the early development of molecular orbital theory, i.e. the elaboration of the molecular orbital method of computing the structure of molecules.
The impact of valence theory declined during the 1960s and 1970s as molecular orbital theory grew in usefulness as it was implemented in large digital computer programs. Since the 1980s, the more difficult problems, of implementing valence bond theory into computer programs, have been solved largely, and valence bond theory has seen a resurgence.
Hückel is most famous for developing the Hückel method of approximate molecular orbital (MO) calculations on π electron systems, a simplified quantum-mechanical method to deal with planar unsaturated organic molecules. In 1930 he proposed a σ/π separation theory to explain the restricted rotation of alkenes (compounds containing a C=C ...
[9] [173] His discovery of sickle cell anemia as a "molecular disease" opened the way toward examining genetically acquired mutations at a molecular level. [ 68 ] Pauling's 1951 publication with Robert B. Corey and H. R. Branson, "The Structure of Proteins: Two Hydrogen-Bonded Helical Configurations of the Polypeptide Chain," was a key early ...
Streitwieser was one of the pioneers of molecular orbital theory and his book Molecular Orbital Theory for Organic Chemists had a lasting impact on the field. [2] He is also well-known for proposing the currently accepted interpretation of the origin of secondary deuterium kinetic isotope effects. [3]
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 .
[11] [12] VSEPR predicts molecular geometry to take the configuration that allows electron pairs to be most spaced out. [11] [12] This electron distance maximization happens to achieve the most stable electron distribution. [11] [12] The result of VSEPR theory is being able to predict bond angles with accuracy. According to VSEPR theory, the ...