The Interpretation of Compliance Constants and Their Suitability for Characterizing Hydrogen Bonds and Other Weak Interactions
- 12 August 2006
- journal article
- Published by American Chemical Society (ACS) in Journal of the American Chemical Society
- Vol. 128 (35), 11324-11325
- https://doi.org/10.1021/ja0618503
Abstract
Compliance constants (or their inverses, relaxed force constants) have frequently been proposed as replacements for internal coordinate force constants because of their invariance properties. Recently, Grunenberg and co-workers have proposed using compliance constants as bond strength descriptors, particularly for weak bonds. In this paper, we critically assess this claim and conclude that the use of compliance constants in this regard is inappropriate.Keywords
This publication has 11 references indexed in Scilit:
- A critical assessment of the use of compliance constants as bond strength descriptors for weak interatomic interactionsThe Journal of Chemical Physics, 2006
- Direct Assessment of Interresidue Forces in Watson−Crick Base Pairs Using Theoretical Compliance ConstantsJournal of the American Chemical Society, 2004
- The strongest bond in the universe? Accurate calculation of compliance matrices for the ions N2H+, HCO+, and HOC+The Journal of Chemical Physics, 2003
- Classical chemical concepts from ab initio SCF calculationsTheoretical Chemistry Accounts, 1985
- Interpretation of potential constants: application to study of bonding forces in metal cyanide complexes and metal carbonylsAccounts of Chemical Research, 1976
- Compliance Matrix and Molecular VibrationsThe Journal of Chemical Physics, 1963
- Criteria for the Construction of Good Self-Consistent-Field Molecular Orbital Wave Functions, and the Significance of LCAO-MO Population AnalysisThe Journal of Chemical Physics, 1962
- Vibrational frequencies of semirigid molecules: a general method and values for ethylbenzeneJournal of Research of the National Bureau of Standards, 1947
- A boundary anomaly found in the ultracentrifugal sedimentation of mixturesTransactions of the Faraday Society, 1946
- Vapor Pressures of Certain GlycolsJournal of the American Chemical Society, 1935