O-H Bond dissociation enthalpies in hydroxyphenols. A time-resolved photoacoustic calorimetry and quantum chemistry study

Physical Chemistry Chemical Physics

Volumn 6, Issue 9, 2004, Pages 2109-2118

  Correia, Catarina F ^a   Guedes, Rita C ^a,b   Borges Dos Santos, Rui M ^c   Costa Cabral, Benedito J ^a,b   Martinho Simões, José A ^a  

^a UNIVERSITY OF LISBON   (Portugal)

^b UNIVERSITY OF LISBON   (Portugal)

^c UNIVERSITY OF ALGARVE   (Portugal)

Author keywords

[No Author keywords available]

Indexed keywords

CATECHOL; HYDROGEN; OXYGEN; PHENOL; PHLOROGLUCINOL; PYROGALLOL;

ARTICLE; CALORIMETRY; DENSITY; DISSOCIATION; ENERGY TRANSFER; ENTHALPY; HYDROGEN BOND; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; PHOTOACOUSTIC SPECTROSCOPY; QUANTUM CHEMISTRY; THEORETICAL STUDY;

EID: 2942612988     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b314093h     Document Type: Article

References (75)

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9. Newer additions to the experimental thermochemical database on phenolic O-H bonds include; (b) M. Lucarini, V. Mugnaini and G. F. Pedulli, J. Org. Chem., 2002, 67, 928; (c) P. Pedrielli and G. F. Pedulli, Gazz. Chim. Ital., 1997, 127, 509; (d) G. Brigati, M. Lucarini, V. Mugnaini and G. F. Pedulli, J. Org. Chem., 2002, 67, 4828; (e) M. Lucarini, G. F. Pedulli, L. Valgimigli and R. Amorati, J. Org. Chem., 2001, 66, 5456; (f) M. Lucarini, V. Mugnaini and G. F. Pedulli, Struct. Chem., 2003, 14, 399; (g) M. I. De Heer, H.-G. Korth and P. Mulder, J. Org. Chem., 1999, 64, 6969; (h) D. E. Paulon and M. E. J. Coronel, J. Chem. Soc., Perkin Trans. 2, 1998, 885; (i) M. A. V. Ribeiro da Silva, M. A. R. Matos, M. S. Miranda, M. H. F. A. Sousa, R. M. Borges dos Santos, M. M. Bizarro and J. A. Martinho Simões, Struct. Chem., 2001, 12, 171; (j) M. Jonsson, J. Lind and G. Merényi, J. Phys. Chem. A, 2002, 106, 4758.
10. Newer additions to the experimental thermochemical database on phenolic O-H bonds include; (b) M. Lucarini, V. Mugnaini and G. F. Pedulli, J. Org. Chem., 2002, 67, 928; (c) P. Pedrielli and G. F. Pedulli, Gazz. Chim. Ital., 1997, 127, 509; (d) G. Brigati, M. Lucarini, V. Mugnaini and G. F. Pedulli, J. Org. Chem., 2002, 67, 4828; (e) M. Lucarini, G. F. Pedulli, L. Valgimigli and R. Amorati, J. Org. Chem., 2001, 66, 5456; (f) M. Lucarini, V. Mugnaini and G. F. Pedulli, Struct. Chem., 2003, 14, 399; (g) M. I. De Heer, H.-G. Korth and P. Mulder, J. Org. Chem., 1999, 64, 6969; (h) D. E. Paulon and M. E. J. Coronel, J. Chem. Soc., Perkin Trans. 2, 1998, 885; (i) M. A. V. Ribeiro da Silva, M. A. R. Matos, M. S. Miranda, M. H. F. A. Sousa, R. M. Borges dos Santos, M. M. Bizarro and J. A. Martinho Simões, Struct. Chem., 2001, 12, 171; (j) M. Jonsson, J. Lind and G. Merényi, J. Phys. Chem. A, 2002, 106, 4758.
11. Newer additions to the experimental thermochemical database on phenolic O-H bonds include; (b) M. Lucarini, V. Mugnaini and G. F. Pedulli, J. Org. Chem., 2002, 67, 928; (c) P. Pedrielli and G. F. Pedulli, Gazz. Chim. Ital., 1997, 127, 509; (d) G. Brigati, M. Lucarini, V. Mugnaini and G. F. Pedulli, J. Org. Chem., 2002, 67, 4828; (e) M. Lucarini, G. F. Pedulli, L. Valgimigli and R. Amorati, J. Org. Chem., 2001, 66, 5456; (f) M. Lucarini, V. Mugnaini and G. F. Pedulli, Struct. Chem., 2003, 14, 399; (g) M. I. De Heer, H.-G. Korth and P. Mulder, J. Org. Chem., 1999, 64, 6969; (h) D. E. Paulon and M. E. J. Coronel, J. Chem. Soc., Perkin Trans. 2, 1998, 885; (i) M. A. V. Ribeiro da Silva, M. A. R. Matos, M. S. Miranda, M. H. F. A. Sousa, R. M. Borges dos Santos, M. M. Bizarro and J. A. Martinho Simões, Struct. Chem., 2001, 12, 171; (j) M. Jonsson, J. Lind and G. Merényi, J. Phys. Chem. A, 2002, 106, 4758.
12. Newer additions to the experimental thermochemical database on phenolic O-H bonds include; (b) M. Lucarini, V. Mugnaini and G. F. Pedulli, J. Org. Chem., 2002, 67, 928; (c) P. Pedrielli and G. F. Pedulli, Gazz. Chim. Ital., 1997, 127, 509; (d) G. Brigati, M. Lucarini, V. Mugnaini and G. F. Pedulli, J. Org. Chem., 2002, 67, 4828; (e) M. Lucarini, G. F. Pedulli, L. Valgimigli and R. Amorati, J. Org. Chem., 2001, 66, 5456; (f) M. Lucarini, V. Mugnaini and G. F. Pedulli, Struct. Chem., 2003, 14, 399; (g) M. I. De Heer, H.-G. Korth and P. Mulder, J. Org. Chem., 1999, 64, 6969; (h) D. E. Paulon and M. E. J. Coronel, J. Chem. Soc., Perkin Trans. 2, 1998, 885; (i) M. A. V. Ribeiro da Silva, M. A. R. Matos, M. S. Miranda, M. H. F. A. Sousa, R. M. Borges dos Santos, M. M. Bizarro and J. A. Martinho Simões, Struct. Chem., 2001, 12, 171; (j) M. Jonsson, J. Lind and G. Merényi, J. Phys. Chem. A, 2002, 106, 4758.
13. Newer additions to the experimental thermochemical database on phenolic O-H bonds include; (b) M. Lucarini, V. Mugnaini and G. F. Pedulli, J. Org. Chem., 2002, 67, 928; (c) P. Pedrielli and G. F. Pedulli, Gazz. Chim. Ital., 1997, 127, 509; (d) G. Brigati, M. Lucarini, V. Mugnaini and G. F. Pedulli, J. Org. Chem., 2002, 67, 4828; (e) M. Lucarini, G. F. Pedulli, L. Valgimigli and R. Amorati, J. Org. Chem., 2001, 66, 5456; (f) M. Lucarini, V. Mugnaini and G. F. Pedulli, Struct. Chem., 2003, 14, 399; (g) M. I. De Heer, H.-G. Korth and P. Mulder, J. Org. Chem., 1999, 64, 6969; (h) D. E. Paulon and M. E. J. Coronel, J. Chem. Soc., Perkin Trans. 2, 1998, 885; (i) M. A. V. Ribeiro da Silva, M. A. R. Matos, M. S. Miranda, M. H. F. A. Sousa, R. M. Borges dos Santos, M. M. Bizarro and J. A. Martinho Simões, Struct. Chem., 2001, 12, 171; (j) M. Jonsson, J. Lind and G. Merényi, J. Phys. Chem. A, 2002, 106, 4758.
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15. Newer additions to the experimental thermochemical database on phenolic O-H bonds include; (b) M. Lucarini, V. Mugnaini and G. F. Pedulli, J. Org. Chem., 2002, 67, 928; (c) P. Pedrielli and G. F. Pedulli, Gazz. Chim. Ital., 1997, 127, 509; (d) G. Brigati, M. Lucarini, V. Mugnaini and G. F. Pedulli, J. Org. Chem., 2002, 67, 4828; (e) M. Lucarini, G. F. Pedulli, L. Valgimigli and R. Amorati, J. Org. Chem., 2001, 66, 5456; (f) M. Lucarini, V. Mugnaini and G. F. Pedulli, Struct. Chem., 2003, 14, 399; (g) M. I. De Heer, H.-G. Korth and P. Mulder, J. Org. Chem., 1999, 64, 6969; (h) D. E. Paulon and M. E. J. Coronel, J. Chem. Soc., Perkin Trans. 2, 1998, 885; (i) M. A. V. Ribeiro da Silva, M. A. R. Matos, M. S. Miranda, M. H. F. A. Sousa, R. M. Borges dos Santos, M. M. Bizarro and J. A. Martinho Simões, Struct. Chem., 2001, 12, 171; (j) M. Jonsson, J. Lind and G. Merényi, J. Phys. Chem. A, 2002, 106, 4758.
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75. -1 for the enthalpy of reaction (16).