Luo Y.-R. Handbook of bond dissociation energies in organic compounds
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Luo Y.-R. Handbook of bond dissociation energies in organic compounds / Luo Y.-R. - Boca Raton: CRC Press, 2003. - 380 p. - ISBN 0-8493-1589-1.
 
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Chapter One  Introduction ....................................................... 1
    1.1 A database of the BDEs .................................................. 1
    1.2 What is the BDE? ........................................................ 1
    1.3 Why we need reliable BDEs ............................................... 2
    1.4 Scope of this book ...................................................... 2
    1.5 On energy units ......................................................... 3
    1.6 How to search for BDEs in this book ..................................... 3
    1.7 How to use the tables of the BDE data ................................... 4

Chapter Two  Experimental methods for measuring BDEs ............................ 7

Chapter Three  Tabulated BDEs of C-H bonds ..................................... 11
    3.1 Chain saturated hydrocarbons ........................................... 11
    3.2 Chain unsaturated hydrocarbons ......................................... 15
    3.3 Cyclic hydrocarbons .................................................... 21
    3.4 Aromatic hydrocarbons .................................................. 30
    3.5 Halogenated hydrocarbons ............................................... 50
    3.6 Organic compounds containing heteroatoms ............................... 57
        3.6.1 C-H BDEs with α-OH, -OR, -C(O), and -C(O)O ....................... 57
        3.6.2 C-H BDEs with α-N, -CN, -NO, -N02, and -NN ....................... 72
        3.6.3 C-H BDEs with α-O, -N, and their groups .......................... 84
        3.6.4 C-H BDEs with α-C(S), -S, -SO, and -S02 .......................... 89
        3.6.5 C-H BDEs with other heteroatoms at α-position .................... 93

Chapter Four  Tabulated BDEs of C-C bonds ...................................... 95
    4.1 Saturated hydrocarbons ................................................. 95
    4.2 Chain unsaturated hydrocarbons ........................................ 101
    4.3 Aromatic hydrocarbons ................................................. 107
    4.4 Halogenated hydrocarbons .............................................. 111
    4.5 Organic compounds containing heteroatoms .............................. 119
        4.5.1 Organic compounds containing oxygen atoms ....................... 119
        4.5.2 Organic compounds containing nitrogen atoms ..................... 130
        4.5.3 Organic compounds containing sulfur atoms ....................... 135

Chapter Five  Tabulated BDEs of C-halogen bonds ............................... 139
    5.1 C-F bonds ............................................................. 139
    5.2 C-Cl bonds ............................................................ 142
    5.3 C-Br bonds ............................................................ 151
    5.4 C-I bonds ............................................................. 157

Chapter Six  Tabulated BDEs of O-X bonds ...................................... 163
    6.1 O-H bonds ............................................................. 163
        6.1.1 O-H bonds in nonphenols ......................................... 163
        6.1.2 O-H bonds in oximes and hydroxylamines .......................... 171
        6.1.3 O-H bonds in phenols ............................................ 182
        6.1.4 O-H bonds in sterically hindered phenols ........................ 195
    6.2 O-O bonds ............................................................. 202
    6.3 O-C bonds ............................................................. 205
        6.3.1 O-C bonds in alcohols ........................................... 205
        6.3.2 O-C bonds in ethers ............................................. 209
        6.3.3 O-C bonds in esters, acids, and anhydrides ...................... 217
        6.3.4 O-C bonds in peroxides and peroxys .............................. 220
        6.3.5 O-C bonds in other species ...................................... 223
    6.4 O-N bonds ............................................................. 225
    6.5 O-S, O-halogen, and O-P bonds ......................................... 229

Chapter Seven  Tabulated BDEs of N-X bonds .................................... 233
    7.1 N-H bonds ............................................................. 233
        7.1.1 N-H bonds in nonanilines ........................................ 233
        7.1.2 N-H bonds in anilines ........................................... 240
        7.1.3 N-H bonds in cyclic compounds ................................... 248
    7.2 N-N bonds ............................................................. 254
    7.3 N-C bonds ............................................................. 258
    7.4 N-S bonds ............................................................. 269
    7.5 N-halogen bonds ....................................................... 269

Chapter Eight  Tabulated BDEs of S-X bonds .................................... 273
    8.1 S-H bonds ............................................................. 273
    8.2 S-S bonds ............................................................. 277
    8.3 S-C bonds ............................................................. 279
    8.4 S-halogen and S-P bonds ............................................... 285

Chapter Nine  Tabulated BDEs of Si-, Ge-, Sn-, P-, and Se-X bonds ............. 287
    9.1 Si-X bonds ............................................................ 287
    9.2 Ge-X bonds ............................................................ 294
    9.3 Sn-X bonds ............................................................ 296
    9.4 P-X bonds ............................................................. 297
    9.5 Se-X bonds ............................................................ 299

Chapter Ten  Tabulated BDEs in some inorganic compounds ....................... 301

Chapter Eleven  Heats of formation of atoms, inorganic and organic radicals ... 307
    11.1 Gaseous atoms ........................................................ 307
    11.2 Small inorganic radicals in the gas phase ............................ 308
    11.3 Organic radicals in the gas phase .................................... 310
         11.3.1 C-centered radicals ........................................... 310
         11.3.2 O-centered radicals ........................................... 319
         11.3.3 N-centered radicals ........................................... 321
         11.3.4 S-centered radicals ........................................... 323
         11.3.5 Si-, Ge-, and Sn-centered radicals ............................ 324
    11.4 Group additivity values for organic radicals ......................... 325
         11.4.1 GAVs of C/H radicals .......................................... 325
         11.4.2 GAVs of O/C/H radicals ........................................ 326
         11.4.3 GAVs of N/C/H/O radicals ...................................... 328
         11.4.4 GAVs of S/C/H/O radicals ...................................... 329

References .................................................................... 331

Index of compound classes ..................................................... 361

Index of compound names ....................................................... 367


Вверх Luo Y.-R. Handbook of bond dissociation energies in organic compounds / Luo Y.-R. - Boca Raton: CRC Press, 2003. - 380 p. - ISBN 0-8493-1589-1.

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