The thermodynamics of the isomerization of cyanophenol and cyanothiophenol compounds

Gomes, José R. B.; Liebman, Joel F.; Silva, Manuel A.V. Ribeiro da

doi:10.1007/s11224-006-9074-5

Cited by 28 publications

(17 citation statements)

References 33 publications

(53 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The case of phenyl comes close where there are data for the isocyanate [158,159], the cyanate [160], and the 2,4,6-trimethyl derivative of the nitrile oxide [161,162]. We also note the theoretical thermochemical study of the phenyl species as well as their sulfur-containing analogs [163].…”

Section: Issuesupporting

confidence: 52%

Interplay of thermochemistry and Structural Chemistry, the journal (volume 16, 2005) and the discipline

et al. 2010

Self Cite

View full text Add to dashboard Cite

show abstract

Section: Issuesupporting

confidence: 52%

Interplay of thermochemistry and Structural Chemistry, the journal (volume 16, 2005) and the discipline

et al. 2010

Self Cite

View full text Add to dashboard Cite

show abstract

“…Additionally, high thermal stabilities with initial decomposition temperatures above 400°C dependent on the conformational rigidity (higher rigidity resulted in higher decomposition temperatures) were shown. Although the calorimetry of hydroxyphthalonitrile and its derivatives remains unstudied, the enthalpies of formation of diverse phydroxybenzonitrile derivatives have been determined [99,100] as has the enthalpy of interconversion of o-hydroxybenzonitrile, benzisoxazole [101], and diverse isomers [102].…”

Section: Issuementioning

confidence: 99%

Interplay of thermochemistry and structural chemistry, the journal (volume 24, 2013, issues 5–6) and the discipline

2014

Self Cite

View full text Add to dashboard Cite

show abstract

“…In the next article, density functional theory (DFT) and composite approaches were used by Gomes et al [24] to obtain more knowledge about the enthalpies in the formation of cyanophenol and cyanothiophenol compounds and their isomers. DFT reliably reproduces the thermochemistry of cyanophenols, of anthranil, and of phenylisocyanate but not that of benzoxazole and benzothiazole.…”

Section: Issuementioning

confidence: 99%

Interplay of thermochemistry and Structural Chemistry, the journal (volume 18, 2007) and the discipline

Ponikvar

Liebman

2008

Struct Chem

Self Cite

View full text Add to dashboard Cite

In this study, we relate the contents of the journal Structural Chemistry for the calendar year 2007 and thermochemistry. The year's articles were briefly summarized and a thermochemical comment written to supplement them. Frequently questions were asked and future research was suggested.Keywords Structural Chemistry Á Thermochemistry Á Thermodynamics Á Enthalpy of formation Á Enthalpy of phase change Á Enthalpy of reaction As practiced disciplines, structural chemistry and thermochemistry are very often unrelated. In this study, these disciplines are linked as relations are explicitly made using the contents of the journal Structural Chemistry (Vol. 18) for the calendar year 2007 as a scaffold for our analysis, for our selected articles in the discipline of structural chemistry. These studies have been reviewed by us, where we give them a thermochemical flavor. While this commentary is most generally written in terms of brief summaries of literature papers involving enthalpies of formation and/or reaction, not uncommonly we raise questions and even suggest possible future research. We are not, however, going to give a thermochemical slant on book reviews, honorary dedications, and obituaries although these works will be cited in our text.As such, this article is a sequel to our earlier related reviews of Structural Chemistry for the calendar years 2000 through 2004 [1-5]. Reviews for 2005 and 2006 are currently being prepared. Issue 1In the first article in the first issue of Structural Chemistry for 2007, Hargittai [6] asserted that while research is currently usually carried out in big groups, the most important ideas, observations and discoveries still belong to individuals who have to bring down dogmas or open entirely new areas in science. This may bring solace to the thermochemical community in which research groups are generally small, and the number of new practitioners sadly few.In the past decade, the crystal engineering of multidimensional arrays and networks containing metal ions has achieved considerable progress because of the increased interest in the potential utility of these compounds as zeolite-like materials [7-11], catalysts [12], or magnetic materials [13][14][15]. The thermochemistry of these species is complicated by their inherent complexity: however, estimation approaches of their key thermochemical quantities are increasingly reliable [16]. In the second article of this issue, by Wang et al. [17], the versatility of malonate dianion as a ligand for the construction of extended networks with different topologies dependent on the coordination geometry of the metal ion was discussed. The synthesis and structure of a novel malonate-bridged copper(II) compound in which copper(II) ions have two different coordination environments in a novel three-dimensional (3D) network was described. Metal malonates have been studied from a

show abstract

The thermodynamics of the isomerization of cyanophenol and cyanothiophenol compounds

Cited by 28 publications

References 33 publications

Interplay of thermochemistry and Structural Chemistry, the journal (volume 16, 2005) and the discipline

Interplay of thermochemistry and Structural Chemistry, the journal (volume 16, 2005) and the discipline

Interplay of thermochemistry and structural chemistry, the journal (volume 24, 2013, issues 5–6) and the discipline

Interplay of thermochemistry and Structural Chemistry, the journal (volume 18, 2007) and the discipline

Contact Info

Product

Resources

About