S-H bond dissociation enthalpies in thiophenols: A time-resolved photoacoustic calorimetry and quantum chemistry study

Journal of Physical Chemistry A

Volumn 106, Issue 42, 2002, Pages 9883-9889

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

^a UNIVERSITY OF LISBON   (Portugal)

^b Centro de Fisica da Materia Condensada   (Portugal)

^c UNIVERSITY OF ALGARVE   (Portugal)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CALORIMETRY; DISSOCIATION; ENTHALPY; HYDROGEN BONDS; LASER APPLICATIONS; MOLECULES; PHOTOCHEMICAL REACTIONS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; SPECIFIC HEAT; SULFUR;

PHOTOACOUSTIC CALORIMETRY; QUANTUM CHEMISTRY; THIOPHENOL;

PHENOLS;

EID: 0037168316     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp025677i     Document Type: Article

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35. Note that the estimation of the solvation enthalpy of the hydrogen atom is now made redundant. The knowledge of this value is only necessary if we aim to determine the bond dissociation enthalpy in solution through eq 10, because it cancels out when eq 12 is used to derive the gas-phase value.