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Acta Chimica Slovaca
Volume 5 (2012): Issue 1 (April 2012)
Open Access
S—H Bond Dissociation Enthalpies in
para
- and
meta
-Substituted Thiophenols: Correlation with Thiophenolic C—S Bond Length
Lenka Rottmannová
Lenka Rottmannová
,
Adam Vagánek
Adam Vagánek
,
Ján Rimarčík
Ján Rimarčík
,
Vladimír Lukeš
Vladimír Lukeš
and
Erik Klein
Erik Klein
| May 14, 2012
Acta Chimica Slovaca
Volume 5 (2012): Issue 1 (April 2012)
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Published Online:
May 14, 2012
Page range:
37 - 41
DOI:
https://doi.org/10.2478/v10188-012-0006-2
Keywords
DFT/B3LYP
,
Bond dissociation enthalpy
,
Thiophenol
,
Substituent effect
,
C—S bond length
This content is open access.
Lenka Rottmannová
Institute of Physical Chemistry and Chemical Physics, Slovak University of Technology, Radlinského 9, SK-812 37 Bratislava, Slovakia
Adam Vagánek
Institute of Physical Chemistry and Chemical Physics, Slovak University of Technology, Radlinského 9, SK-812 37 Bratislava, Slovakia
Ján Rimarčík
Institute of Physical Chemistry and Chemical Physics, Slovak University of Technology, Radlinského 9, SK-812 37 Bratislava, Slovakia
Vladimír Lukeš
Institute of Physical Chemistry and Chemical Physics, Slovak University of Technology, Radlinského 9, SK-812 37 Bratislava, Slovakia
Erik Klein
Institute of Physical Chemistry and Chemical Physics, Slovak University of Technology, Radlinského 9, SK-812 37 Bratislava, Slovakia