000			02348nam a22003017a 4500
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020			_a9783662602508
040			_aNISER LIBRARY _beng _cNISER LIBRARY
041			_aEnglish
082			_a544 _bINA-O
245			_aOrbitals in chemistry
260			_aHeidelberg : _bSpringer, _c2009.
300			_axiii, 320 p. : _bill.
490			_aTopics in current chemistry, _v289 _x0340-1022 ;
504			_aIncludes bibliographical references and index.
520			_aMolecular properties and reactions are controlled by electrons in the molecules. Electrons had been thought to be particles. Quantum mechanics showed that el- trons have properties not only as particles but also as waves. A chemical theory is required to think about the wave properties of electrons in molecules. These prop- ties are well represented by orbitals, which contain the amplitude and phase ch- acteristics of waves. This volume is a result of our attempt to establish a theory of chemistry in terms of orbitals — A Chemical Orbital Theory. The amplitude of orbitals represents a spatial extension of orbitals. An orbital strongly interacts with others at the position and in the direction of great extension. Orbital amplitude controls the reactivities and selectivities of chemical reactions. In the first paper on frontier orbital theory by Fukui the amplitude appeared in the form of its square, i.e., the density of frontier electrons in 1952 (Scheme 1). Orbital mixing rules were developed by Libit and Hoffmann and by Inagaki and Fukui in 1974 and Hirano and Imamura in 1975 to predict magnitudes of orbital amplitudes (Scheme 2) for understanding and designing stereoselective reactions.
650			_aMolecular orbitals
650			_aOrganic Chemistry Phenomena.
650			_aChemistry Techniques, Analytical.
650			_aInorganic chemistry
700			_aInagaki, Satoshi
856			_3Electronic version _uhttps://link.springer.com/book/10.1007/978-3-642-01751-3
856			_3Table of contents _uhttps://link.springer.com/content/pdf/bfm:978-3-642-01751-3/1
856			_3Reviews _uhttps://www.goodreads.com/book/show/181889307-orbitals-in-chemistry-topics-in-current-chemistry-volume-289-special?ref=nav_sb_ss_1_13#CommunityReviews
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