vibrational assignment of a-cyanoacetylacetone

[1]  G. Madsen,et al.  Characterization of the Short Strong Hydrogen Bond in Benzoylacetone by ab Initio Calculations and Accurate Diffraction Experiments. Implications for the Electronic Nature of Low-Barrier Hydrogen Bonds in Enzymatic Reactions , 1998 .

[2]  K. Lyssenko,et al.  Molecular Crystal Structure of Acetylacetone at 210 and 110 K: Is the Crystal Disorder Static or Dynamic? , 1998 .

[3]  F. Zuccarello,et al.  Importance of steric effect on the hydrogen bond strength of malondialdehyde and acetylacetone 3‐substituted derivatives. An ab initio study , 1997 .

[4]  Vincenzo Barone,et al.  Proton transfer in the ground and lowest excited states of malonaldehyde: A comparative density functional and post‐Hartree–Fock study , 1996 .

[5]  Peter M. W. Gill,et al.  A new gradient-corrected exchange functional , 1996 .

[6]  J. Dannenberg,et al.  Theoretical Study of the Enolic Forms of Acetylacetone. How Strong Is the Hydrogen Bond , 1994 .

[7]  A. Becke Density-functional thermochemistry. III. The role of exact exchange , 1993 .

[8]  T. Chiavassa,et al.  Experimental and Theoretical Studies of Malonaldehyde: Vibrational Analysis of a Strongly Intramolecularly Hydrogen Bonded Compound , 1992 .

[9]  J. M. Lluch,et al.  Tunneling dynamics in isotopically substituted malonaldehyde. Comparison between symmetric and asymmetric species , 1992 .

[10]  V. Bertolasi,et al.  Evidence for resonance-assisted hydrogen bonding. 2. Intercorrelation between crystal structure and spectroscopic parameters in eight intramolecularly hydrogen bonded 1,3-diaryl-1,3-propanedione enols , 1991 .

[11]  J. Emsley,et al.  β-Diketone interactions Part 12. The structure and properties of 3-(3′,4′,5′- trimethylphenyl)-pentane-2,4-dione, C14H18O2; the hydrogen-bond energy of the enol tautomers of β-diketones , 1990 .

[12]  P. Bates,et al.  β-Diketone interactions. Part 8. The hydrogen bonding of the enol tautomers of some 3-substituted pentane-2,4-diones , 1989 .

[13]  P. Bates,et al.  β-Diketone interactions. Part 6. X-Ray molecular structure of 3-(4-methoxyphenyl)pentane-2,4-dione, a β-diketone enol tautomer with a very strong hydrogen bond , 1988 .

[14]  J. Emsley,et al.  β-diketone interactions: Part 10. The structure and properties of 3-(2′,4′-dimethoxyphenyl)pentane-2,4-dione; enol ring symmetry and other hydrogen bond parameters , 1987 .

[15]  S. Shibata,et al.  The molecular structure of acetylacetone as studied by gas-phase electron diffraction , 1987 .

[16]  Warren J. Hehre,et al.  AB INITIO Molecular Orbital Theory , 1986 .

[17]  N. Freeman,et al.  β-Diketone interactions. Part 1. Pentane-2,4-dione–diethylamine adduct. X-Ray structure reveals novel hydrogen-bonded dimer , 1986 .

[18]  D. Mastropaolo,et al.  Molecular structure of acetylacetone. A crystallographic determination , 1983 .

[19]  S. Tayyari,et al.  Spectroscopic study of hydrogen bonding in the enol form of β-diketones—II. Symmetry of the hydrogen bond , 1979 .

[20]  S. Tayyari,et al.  Spectroscopic study of hydrogen bonding in the enol form of β-diketones—I. Vibrational assignment and strength of the bond , 1979 .

[21]  J. Karle,et al.  Structure of acetylacetone by electron diffraction , 1971 .

[22]  H. Ogoshi,et al.  Intramolecular hydrogen bond in enol form of 3-substituted-2,4-pentanedione , 1970 .

[23]  B. L. Shapiro,et al.  Nuclear magnetic resonance studies of enol-enol and keto-enol equilibria in substituted benzoylacetones , 1969 .

[24]  D. C. Nonhebel NMR spectra of intramolecularly hydrogen-bonded compound—I , 1968 .

[25]  K. Nakamoto,et al.  Normal‐Coordinate Analyses of Hydrogen‐Bonded Compounds. V. The Enol Forms of Acetylacetone and Hexafluoroacetylacetone , 1966 .

[26]  D. Shugar,et al.  Infrared spectra of cyanoacetylacetone and the free enolate ions of acetylacetone and cyanoacetylacetone , 1965 .

[27]  D. Shugar,et al.  Primary Photoproduct of 2,6-Dimethyl-4-Aminopyrimidine , 1963 .

[28]  L. W. Reeves NUCLEAR MAGNETIC RESONANCE MEASUREMENTS IN SOLUTIONS OF ACETYLACETONE: THE EFFECT OF SOLVENT INTERACTIONS ON THE TAUTOMERIC EQUILIBRIUM , 1957 .