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HSAB theory information


HSAB is an acronym for "hard and soft (Lewis) acids and bases". HSAB is widely used in chemistry for explaining the stability of compounds, reaction mechanisms and pathways. It assigns the terms 'hard' or 'soft', and 'acid' or 'base' to chemical species. 'Hard' applies to species which are small, have high charge states (the charge criterion applies mainly to acids, to a lesser extent to bases), and are weakly polarizable. 'Soft' applies to species which are big, have low charge states and are strongly polarizable.[1]

The theory is used in contexts where a qualitative, rather than quantitative, description would help in understanding the predominant factors which drive chemical properties and reactions. This is especially so in transition metal chemistry, where numerous experiments have been done to determine the relative ordering of ligands and transition metal ions in terms of their hardness and softness.

HSAB theory is also useful in predicting the products of metathesis reactions. In 2005 it was shown that even the sensitivity and performance of explosive materials can be explained on basis of HSAB theory.[2]

Ralph Pearson introduced the HSAB principle in the early 1960s[3][4][5] as an attempt to unify inorganic and organic reaction chemistry.[6]

  1. ^ Jolly, W. L. (1984). Modern Inorganic Chemistry. New York: McGraw-Hill. ISBN 978-0-07-032760-3.
  2. ^ [1] E.-C. Koch, Acid-Base Interactions in Energetic Materials: I. The Hard and Soft Acids and Bases (HSAB) Principle-Insights to Reactivity and Sensitivity of Energetic Materials, Prop.,Expl.,Pyrotech. 30 2005, 5
  3. ^ Pearson, Ralph G. (1963). "Hard and Soft Acids and Bases". J. Am. Chem. Soc. 85 (22): 3533–3539. doi:10.1021/ja00905a001.
  4. ^ Pearson, Ralph G. (1968). "Hard and soft acids and bases, HSAB, part 1: Fundamental principles". J. Chem. Educ. 1968 (45): 581–586. Bibcode:1968JChEd..45..581P. doi:10.1021/ed045p581.
  5. ^ Pearson, Ralph G. (1968). "Hard and soft acids and bases, HSAB, part II: Underlying theories". J. Chem. Educ. 1968 (45): 643–648. Bibcode:1968JChEd..45..643P. doi:10.1021/ed045p643.
  6. ^ [2] R. G. Pearson, Chemical Hardness – Applications From Molecules to Solids, Wiley-VCH, Weinheim, 1997, 198 pp

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Marcus theory — Lewis theory (successor to Brønsted–Lowry acid–base theory) — HSAB theory — Debye–Hückel theory — Thermodynamic theory of polymer elasticity...

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Brønsted–Lowry acid. The classification into hard and soft acids and bases (HSAB theory) followed in 1963. The strength of Lewis acid-base interactions, as measured...

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Salt metathesis reaction

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choice of reactants is guided by a solubility chart or lattice energy. HSAB theory can also be used to predict the products of a metathesis reaction. Salt...

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Donor number

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at least two properties must be considered. For Pearson qualitative HSAB theory, the two properties are hardness and strength, while for Drago's quantitative...

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Acid strength

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strength at least two properties must be considered. For the qualitative HSAB theory the two properties are hardness and strength while for the quantitative...

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Inorganic chemistry

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referred to as a Lewis base. As a refinement of acid-base interactions, the HSAB theory takes into account polarizability and size of ions. Subdivisions of inorganic...

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Classes of metals

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containing ligating atoms other than the lightest of their Periodic Group." HSAB theory, hard and soft (Lewis) acids and bases Weisstein, Eric Wolfgang (ed.)...

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Gallium trichloride

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polarisability, allow GaCl3 to behave as a "soft acid" in terms of the HSAB theory. The strength of the bonds between gallium halides and ligands have been...

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ECW model

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reaction. This quantitative model is often discussed with the qualitative HSAB theory, which also seeks to rationalize the behavior of diverse acids and bases...

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Thiol

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so strongly with mercury compounds. According to hard/soft acid/base (HSAB) theory, sulfur is a relatively soft (polarizable) atom. This explains the tendency...

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Ralph Pearson

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(ISBN 978-0471035589). A qualitative theory of hard and soft acids and bases (HSAB) was proposed in 1963 in an attempt to unify the theories of reactivity in inorganic...

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Luche reduction

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4-addition is suppressed. The selectivity can be explained in terms of the HSAB theory: carbonyl groups require hard nucleophiles for 1,2-addition. The hardness...

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Acid

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at least two properties must be considered. For Pearson's qualitative HSAB theory the two properties are hardness and strength while for Drago's quantitative...

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Stability constants of complexes

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phosphines than with amines. Later, Pearson proposed the theory of hard and soft acids and bases (HSAB theory). In this classification, class A metals are hard...

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Ammonia

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Lewis acids such as I2, phenol, and Al(CH3)3. Ammonia is a hard base (HSAB theory) and its E & C parameters are EB = 2.31 and CB = 2.04. Its relative donor...

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Alpha effect

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the hydroperoxide anion. In 1962, Edwards and Pearson (the latter of HSAB theory) introduced the phrase alpha effect for this anomaly. He offered the...

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Oxophilicity

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often stated to be related to the hardness of the element, within the HSAB theory (hard and soft (Lewis) acids and bases), but it has been shown that oxophilicity...

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Zinc compounds

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oxygen or nitrogen than with second-row sulfur or phosphorus. In terms of HSAB theory Zn2+ is a hard acid. In aqueous solution an octahedral complex, [Zn(H2O)6]2+...

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Transition metal carboxylate complex

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a pseudohalide (X). Carboxylates are classified as hard ligands, in HSAB theory. Structures of Selected Metal Acetates Basic ferric acetate Silver acetate...

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Properties of water

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bonds between the electron pair donors and the hydrogen atoms of water. HSAB theory describes water as both a weak hard acid and a weak hard base, meaning...

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Transition metal nitrite complex

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O-bonded is an "L-X ligand", akin to bidentate carboxylate. With respect to HSAB theory, the N bonding mode is more common for softer metal centers. The O and...

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Transition metal complexes of thiocyanate

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development of coordination chemistry. Hard metal cations, as classified by HSAB theory, tend to form N-bonded complexes (isothiocyanates), whereas class B or...

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Pyramidal carbocation

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explain the different behavior of the intermediate. In terms of the HSAB-theory an explanation might be given. In 1975 Masamune calculated in the non-substituted...

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List of people from Chicago

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Inorganic chemist; developed the concept of hard and soft acids and bases (HSAB theory) Born in Chicago Dwight H. Perkins Mar 26, 1867 Nov 2, 1941 Architect...

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