Major multinational researchers of their revered fields supply overall insurance of all of the theoretical, actual, man made and analytical points of acid derivatives in addition to their mechanistic and organic homes.
Chapter 1 basic and theoretical (pages 1–50): Harold Basch and Tova Hoz
Chapter 2 Thermochemistry of carboxylic acids and derivatives (pages 51–94): G. Pilcher
Chapter three Chiroptical houses of acid derivatives (pages 95–131): Jan Sandstrom
Chapter four Mass spectrometry of carboxylic acid derivatives (pages 133–151): Helge Egsgaard and Lars Carlsen
Chapter five Nuclear magnetic resonance of acids and acid derivatives (pages 153–226): Poul Erik Hansen
Chapter 6 ESR reports of natural unfastened radicals from carboxylic acids and their derivatives (pages 227–266): Michael J. Davies, Bruce C. Gilbert and Adrian C. Whitwood
Chapter 7 Vibrational research of acid derivatives (pages 271–303): Herman O. Desseyn
Chapter eight Acid–base houses of carboxylic acids, esters and amides (pages 305–369): Romuald I Zalewski
Chapter nine Syntheses and makes use of of isotopically labelled acid derivatives (pages 371–546): Mieczyslaw Zielinski and Marianna Kanska
Chapter 10 The chemistry of lactones and lactams (pages 547–614): G. V. Boyd
Chapter eleven the factitious makes use of of carboxylic acids and their derivatives (pages 615–701): Jeffrey Hoyle
Chapter 12 Vapour and gas?phase reactions of carboxylic acids and their derivatives (pages 703–746): Kenneth A. Holbrook
Chapter thirteen Mechanistic features. contemporary advancements bearing on mechanisms of acylation through carboxylic acid derivatives (pages 747–802): D. P. N. Satchell and R. S. Satchell
Chapter 14 Thio derivatives (pages 803–847): S. Kato and T. Murai
Chapter 15 Hydroxamic acids (pages 849–873): James W. Munson
Chapter sixteen The chemistry of amidoximes (pages 875–966): Demetrios N. Nicolaides and Evangelia A. Varella
Chapter 17 guidance and chemistry of ortho acids, ortho esters and ortho amides (pages 967–1030): Ulf Pindur
Chapter 18 contemporary advancements bearing on carboxyl teams in biochemistry (pages 1031–1061): Alan H. Mehler
Chapter 19 Pharmacology of acid derivatives (pages 1063–1105): Abraham Danon and Zvi Ben?Zvi
Chapter 20 Photochemistry of esters, lactones and their thio analogues (pages 1107–1198): Hiroshi Suginome
Chapter 21 Radiation chemistry of fatty and amino acids (pages 1199–1248): S. V. Jovanovic and Lj. R. Josimovic
Chapter 22 Electrochemistry of carboxylic acids: mechanistic points of Kolbe?type reactions (pages 1249–1270): Elisabet Ahlberg
Chapter 23 Rearrangements (pages 1271–1394): Miguel A. Miranda and Hermenegildo Garcia
Chapter 24 the applying of lipases in natural synthesis (pages 1395–1473): Gudmundur G. Haraldsson
Chapter 25 Diazoacetic acids and derivatives (pages 1475–1637): Oleg M. Nefedov, Evgenii A. Shapiro and Alexey B. Dyatkin
Chapter 26 Anion radicals of fragrant carboxylic acids and their derivatives: constitution and reactivity (pages 1639–1682): Isaak I. Bilkis
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Extra info for Acid Derivatives: Volume 2 (1992)
E. sharing -+ FIGURE 28. N-protonated glycine 1. Bond lengths in -+ A, bond angles in degrees 1. General and theoretical FIGURE 29. Glycine I . Bond lengths in 39 A, bond angles in degrees a common atom with) a complexed/protonated site was commented upon for X = formamide (C-N) and is also found for X = formic acid (C-0). In each case of bond shortening the atom attached to the carbonyl carbon atom had lone pair electrons. For the I-C structures (Figures 23 and 24) and protonation at C=Q (Figure 27) the C - 0 bond also shortens as in 11-D, but the N-C bond lengthens for the complex because the bidentate attachment involves coordination of the metal ion at the nitrogen atom.
The calculated protonation energy is 249 (HF) or 237 (MP2) kcal mol-' (Table 4), which is not much larger than the ordinary glycine protonation energies (Table 4). The energy difference between glycine I and the zwitterion is 27 (HF) or 19 (MP2) kcal mol-'. At about 6 kcal mol- ' per water molecule23,and assuming simple additivity, it would then probably take at least 4 water molecules to stabilize the bare zwitterion, if the water-water interactions are ignored. VI. ACKNOWLEDGEMENTS This research was supported, in part, by grant N o 88-00406 from the United States-Israel Binational Science Foundation (BSF), Jerusalem, Israel.
4) The Q M + discrete environment can be surrounded (or, more accurately, permeated) by a dielectric continuum of varying complexity and detail of description to represent solvent, for example. This approach has been developed by Rashin’j’ and is readily combined with the EFP-reaction field method described here’34. The ab initio reaction field method with the effective fragment potential has a very promising future which must be proven with specific examples. Although only methods ‘. 24 Harold Basch and Tova Hoz have been described here, enough application and comparison calculations have been carried out already to justify the optimism expressed in this article.