Chapter 1 contemporary advances within the theoretical therapy of acid derivatives (pages 1–58): I. G. Csizmadia, M. R. Peterson, C. Kozmutza and M. A. Robb
Chapter 2 Thermochemistry of acid derivatives (pages 59–66): Robert Shaw
Chapter three Chiroptical homes of acid derivatives (pages 67–120): Rolf Hakansson
Chapter four Mass spectra of acid derivatives (pages 121–174): S. W. Tam
Chapter five Complexes of acid anhydrides (pages 175–212): R. Foster
Chapter 6 Hydrogen bonding in carboxylic acids and derivatives (pages 213–266): Dusan Hadzi and Snegulka Detoni
Chapter 7 The synthesis of carboxylic acids and esters and their derivatives (pages 267–490): Michael A. Ogliaruso and James F. Wolfe
Chapter eight The chemistry of lactones and lactams (pages 491–531): G. V. Boyd
Chapter nine The chemistry of orthoamides of carboxylic acids and carbonic acid (pages 533–599): W. Kantlehner
Chapter 10 Detection and resolution of acid derivatives (pages 601–640): W. H. Prichard
Chapter eleven The photochemistry of natural acids, esters, anhydrides, lactones and imides (pages 641–753): Richard S. Givens and Nissim Levi
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Additional info for Acid Derivatives: Volume 1 (1979)
19. J. A. Pople and hl. S. Gordon, J. Amer. Chem. , 89, 4253 (1967); see also Reference 15. 20. H. Leblanc, Jr, V. W. Laurie and W. Gwinn, J. Chem. , 33,598 (1960). 21. The other structural parameters are determined consistently experimentally - see Table 1 of Reference 11.
Baird and K a t h ~ a l using ~ ~ , a minimal STO-3G basis set, found the same structural preferences for the various states. 0 kcal/mole when both triplet-state geometries were optimized. The barrier t o C-N bond rotation was also reduced, from 14 to 5 kcal/mole. This work indicates that the T(n + n*) and T(n + n*) states may be very close in energy, and also the importance of optimizing the excited state geometries as well as that of the ground state. r. ~ h i f t s ~ ~and i ~ 'the , nuclear quadrupole coupling constants' and moments4 7 .
Reported PA values for acetaldehyde and formic acid and it is very hard t o choose among them. However, if we accept -175 kcal/mole for HCOOH and -1 85 kcal/ mole for HCOOCH3 as recommended b y Mills and coworkersg7 then we may use these values t o bracket t h e PA of HCONHl. If we interpolate linearly we obtain a PA value for HCONHz t o be -180 kcal/ mole, while linear extrapolation to HCOF gives a PA value of -170 kcal/mole. However, there is no guarantee that t h e functional dependence of the PA on t h e atomic number ( Z ) of the first atom in the substituent X in the formyl derivative is 0 It C / \ H X linear.