Acid Derivatives: Volume 1 (1979) by PDF

ISBN-10: 0470771585

ISBN-13: 9780470771587

ISBN-10: 0471996106

ISBN-13: 9780471996101

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 houses 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 backbone 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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Sample text

She has also found an optimum ground-state 9 C O angle of 128 , in good agreement with the experimental’ range of 124-1207 . The t w o lowest doubly-excited states are predicted to have OCO angles of 160 and 7 3 O . 8 eV from Reference 53). 81 eV, but singlet and triplet n --* n* transitions from the next lowest occupied MO were also computed to fall near 7 eV. Peyerimhoff and Buenker4’ have reexamined HCOO-, adding a bare positive charge with n o accompanying atomic orbitals t o represent the non-interacting counter-ion, and t o make the molecule neutral.

T. Z. T. Quart Progr. Repf.. 50, 4 (1963); Theoret. Chim. Acta, 6,217 (1966). 12. H. Basch, M. B. Robin and N. A. Keubler,J. Chem. Phys.. 49, SO07 (1968). 13. The Koopmans’ theorem ionization potential (IP) is simply the negative of t h e energy of the orbital from which the electron is removed. The absolute valrie of t h e ZP is generally only a crude estimate as the reorganization energy is neglected, but trends are usually reproduced well. 14. W. J. Hehre and J. A. Pople, J. Amer. Ozem. , 92, 2191 (1970).

They differ in the orientation of the two hydroxyl protons relative to the C-H proton. The computed relative energieslo2 of these four species are shown in Figure 13. + 0' 0 H H I I trans-trans 1. A 0' '0 IH+ H I I H I C 0' / H 0 I H H SCHEME 1. One way t o interconvert the carbonyl-protonated conformers is through in-plane inversion at the oxygen atoms. This mode of interconversion is characterized by two bond angles 8 and 8 2 : H The stable conformations occur for O 1 and O 2 near 120" and 240".

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Acid Derivatives: Volume 1 (1979)

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