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Department:
Chemistry
Decade:
2000-2009
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UNT Scholarly Works
- Rediscovery of the Elements: Courtois and Iodine
- Article describing the history of iodine, including its discovery by Bernard Courtois while during the production of saltpeter. Tourist information regarding pertinent locations is included. digital.library.unt.edu/ark:/67531/metadc111240/
- Rediscovery of the Elements: Jáchymov (Joachimsthal), Czech Republic
- Article describing Jáchymov, Czech Republic, and its relation to radon. Tourist information is included for pertinent areas. digital.library.unt.edu/ark:/67531/metadc111230/
- Rediscovery of the Elements: Titanium, Manaccan, Cornwall, England
- Article wherein James and Virginia Marshall visit Manaccan, England, to explore the site where titanium was first discovered. The area is described, as well as the man who discovered titanium, Reverend William Gregor. digital.library.unt.edu/ark:/67531/metadc111176/
- Rediscovery of the Elements: Tellurium and Fata Baii (Fascebanya), Romania.
- Article describing the discovery of the element tellurium. The authors travel through Romania to visit the Transylvanian mine where tellurium was discovered. They also visit the Brukenthal Museum of Sibiu and describe the museum's mineral collection. digital.library.unt.edu/ark:/67531/metadc111174/
- Discovering "Rediscovery"
- Article containing an interview of James Marshall by Brian Coppola regarding Marshall's "Rediscovery of the Elements" articles. Marshall discusses his motivations for traveling to European locations where elements were discovered, his plans for the future, and other projects. digital.library.unt.edu/ark:/67531/metadc111173/
- Rediscovery of the Elements: Germanium
- Article recounting the history of the element Germanium, including background material on mining in Germany and the isolation of Germanium by Clemens A. Winkler. Tourist information is provided regarding Winkler's laboratory and mines open to the public as museums. digital.library.unt.edu/ark:/67531/metadc111177/
- Rediscovery of the Elements: Montpellier and Bromine
- Article recounting the history of the element Bromine, including its discovery in the salt lagoons of the Montpellier region of France by Antoine-Jérome Balard. Maps of the region and of Balard's birthplace are presented. digital.library.unt.edu/ark:/67531/metadc111178/
- Rediscovery of the Elements: Klaproth
- Article describing the life and career of Martin Heinrich Klaproth, including his discoveries of uranium and zirconium. Tourist information regarding locations significant to his history is included. digital.library.unt.edu/ark:/67531/metadc111225/
- Rediscovery of the Elements: The Road to Karlsruhe
- Article describing the history of atomic weight and the events leading up to the Karlsruhe Congress of chemists. The authors visited several sites pertinent to these events and offer tourist information. digital.library.unt.edu/ark:/67531/metadc111216/
- Rediscovery of the Elements: Jöns Jakob Berzelius
- Article describing the life and career of Jöns Jakob Berzelius. Tourist information regarding locations significant to his history is included. digital.library.unt.edu/ark:/67531/metadc111219/
- Rediscovery of the Elements: The Periodic Table
- Article recounting the history of the development of the Periodic Table. Sites pertinent to this development were visited by the authors, who provide related tourist information. digital.library.unt.edu/ark:/67531/metadc111217/
- Rediscovery of the Elements: Yttrium and Johan Gadolin
- Article describing the life and career of Johan Gadolin. Tourist information regarding locations significant to his history is included. digital.library.unt.edu/ark:/67531/metadc111224/
- Rediscovery of the Elements: Mineral Waters and Spectroscopy
- Article describing the career of Robert Bunsen and the history of spectroscopy and its use in mineral analysis. The discovery of cesium and rubidium using spectroscopy on mineral water is included. In addition, the authors offer tourist information regarding locations pertinent to Bunsen and certain mineral water springs. digital.library.unt.edu/ark:/67531/metadc111227/
- The Story Behind the Cover
- Article explaining the front cover of issue 3 of volume 99 of The Hexagon, which features a painting of mice around a Bunsen burner. James Marshall discusses the picture and how it relates to the history of chemistry. digital.library.unt.edu/ark:/67531/metadc111228/
- Rediscovery of the Elements: Johann Wolfgang Döbereiner
- Article describing the life of Johann Wolfgang Döbereiner and his attempts to systematically organize the elements. Tourist information regarding locations significant to his history is included. digital.library.unt.edu/ark:/67531/metadc111218/
- Rediscovery of the Elements: The Grand Tour
- Article advertising the release of "Rediscovery of the Elements" on DVD with additional information. digital.library.unt.edu/ark:/67531/metadc111229/
- Rediscovery of the Elements: Aluminum
- Article describing the history of aluminum, from its use in alum to its isolation. Tourist information is given regarding locations pertinent to aluminum. digital.library.unt.edu/ark:/67531/metadc111212/
- Rediscovery of the Elements: Fluorine
- Article describing the isolation of elemental fluorine. Tourist information is given regarding locations pertinent to the element's history. digital.library.unt.edu/ark:/67531/metadc111213/
- Rediscovery of the Elements: Joseph Priestley
- Article describing the career and discoveries of Joseph Priestley. Tourist information regarding locations important to Priestley's life are visited and discussed. digital.library.unt.edu/ark:/67531/metadc111205/
- Rediscovery of the Elements: Agricola
- Article describing the career and discoveries of Georgius Agricola. Tourist information regarding locations important to his life are visited and discussed. digital.library.unt.edu/ark:/67531/metadc111206/
- Rediscovery of the Elements: Paracelsus
- Article describing the career and discoveries of Phillippus Aureolus Theophrastus Paracelsus Bombastus von Hohenheim. Tourist information regarding locations important to his life are visited and discussed. digital.library.unt.edu/ark:/67531/metadc111207/
- Rediscovery of the Elements: Carl Wilhelm Scheele
- Article describing the career and discoveries of Carl Wilhelm Scheele. Tourist information regarding locations important to Scheele's life are visited and discussed. digital.library.unt.edu/ark:/67531/metadc111204/
- Rediscovery of the Elements: The Second Discovery of Vanadium
- Article describing how vanadium was "rediscovered" in Sweden and found to be identical to del Rio's sample. Includes tourist information regarding areas relevant to this portion of vanadium's history. digital.library.unt.edu/ark:/67531/metadc111200/
- Rediscovery of the Elements: Phlogiston and Lavoisier
- Article describing the rise and fall of the eighteenth century idea of phlogiston. Tourist information is provided regarding pertinent areas of phlogiston's history. digital.library.unt.edu/ark:/67531/metadc111203/
- Rediscovery of the Elements: The Undiscovery of Vanadium
- Article describing the how the original vanadium sample was misanalysed and identified as chromium. Includes tourist information regarding Paris, France. digital.library.unt.edu/ark:/67531/metadc111199/
- Electronically Unsaturated Three-Coordinate Chloride and Methyl Complexes of Iron, Cobalt, and Nickel
- This article discusses electronically unsaturated three-coordinate chloride and methyl complexes of iron, cobalt, and nickel. Abstract: Three-coordinate organometallic complexes are rare, especially with the prototypical methyl ligand. Using a hindered, rigid bidentate ligand (L), it is possible to create 12-electron methyliron (II) and 13-electron methylcobalt (II) complexes. These complexes are thermally stable, and ¹H NMR spectra suggest that the low coordination number is maintained in solution. Attempts to create the 14-electron LNiCH₃ led instead to the three-coordinate nickel(I) complex LNi(THF). Single crystals of LMCH₃ are isomorphous with the new three-coordinate chloride complexes LNiCl and LCoCl. Along with the recently reported LFeCl (Smith, J.M.; Lachicotte, R.J.; Holland, P.L. Chem Commun. 2001, 1542), these are the only examples of three-coordinate iron(II), cobalt(II), and nickel(II) complexes with terminal chloride ligands, enabling the systematic evaluation of the effect of coordination number and metal identity on M-Cl bond lenghts. Electronic structure calculations predict the ground states of the trigonal complexes. digital.library.unt.edu/ark:/67531/metadc107783/
- A Dream of Toasted Cheese, the Bunsen Burner, and Beatrix Potter
- Front cover of The Hexagon, featuring a painting by Beatrix Potter. In the painting, a mouse wearing glasses sits on the intake tube of a lit Bunsen burner and reads a red book. Behind this is a group of unpainted mice using chemistry equipment. "A Dream of Toasted cheese" is written to the left of the burner's flame, and a note concerning NH3 is written to the bottom left. Above these images is the title of the magazine. Above that are pictures concerning other articles. The inside cover features a table of contents, work credits, and an introductory editorial. digital.library.unt.edu/ark:/67531/metadc111226/
- Rediscovery of the Elements: Gallium
- Article describing the discovery of the element gallium. The authors travel to sites pertinent to the history of gallium, including the home and laboratory of its discoverer and the location from which it was procured. digital.library.unt.edu/ark:/67531/metadc111187/
- Rediscovery of the Elements: Althofen, Austria and Auer von Welsbach
- Article recounting a visit to sites related to Baron Carl Auer von Welsbach, discoverer of lutetium and ytterbium and inventor of the incandescent "Welsbach mantle." Maps and tourist information are provided regarding the Welsbach Museum in Treibach, Austria. digital.library.unt.edu/ark:/67531/metadc111184/
- Rediscovery of the Elements: Thorium
- Article recounting the discovery of the element Thorium in Norway by Hans Morten Thrane Esmark. Maps and tourist information regarding the area are provided. digital.library.unt.edu/ark:/67531/metadc111179/
- Rediscovery of the Elements: Vanadium
- Article describing the discovery of Vanadium and tracing the footsteps of the discoverers. digital.library.unt.edu/ark:/67531/metadc111195/
- Rediscovery of the Elements: Strontium
- Article describing the history of the element strontium from its discovery in Strontian, Scotland, to its early uses in English medicine. Maps with directions and photographs of pertinent locations are included. digital.library.unt.edu/ark:/67531/metadc111186/
- Rediscovery of the Elements: Riddarhyttan, Sweden
- Article describing the authors' tour through Riddarhyttan, Sweden, to visit the areas where cerium and cobalt were discovered. Maps and photographs of pertinent locations are located as well as a history of the area and the elements discovered there. digital.library.unt.edu/ark:/67531/metadc111193/
- Rediscovery of the Elements: Phosphoro di Bologna
- Article recounting a visit to sites related to the discovery of phosphorescent stone (barium sulfide) in Bologna, Italy. Maps with driving directions are included. digital.library.unt.edu/ark:/67531/metadc111185/
- Rediscovery of the Elements: Europium. Eugène Demarcay
- Article describing Eugène Demarcay and his discovery of europium. The authors toured Paris, France, in search of locations important to Demarcay, providing the reader with maps and historical information regarding the sites. digital.library.unt.edu/ark:/67531/metadc111194/
- Riddarhyttan City Motif
- First page of The Hexagon of Alpha Chi Sigma. The blue cover features a black and white drawing of a medieval knight wearing mail and a tunic with a cross motif. He is holding a shield that bears the image of a stone building with flames shooting out of the roof. The word "Riddarhyttan" appears on a banner above the knight's head. Two photographs are arranged to the left of the knight, with text and an image of a computer mouse to the right. The next page includes a table of contents, an editorial, and a list of contributors. Near the bottom of this second page is a piece labeled "On the Cover," which describes the previous page. digital.library.unt.edu/ark:/67531/metadc111192/
- Rediscovery of the Elements: The Platinum Metals
- Article describing the history of the platinum metals, from its discovery in the New World and subsequent experiments in Europe. Tourist information is provided regarding areas pertinent to the history of platinum. digital.library.unt.edu/ark:/67531/metadc111236/
- Nikolaikirche and Apotheke zum Bären, Berlin, Germany
- Front cover of volume 100, issue 1 of The Hexagon, featuring the multistory brick and stone church, Nikolaikirche. The church's first several floors are comprised of older stone work while the upper stories use newer red brick. People and vehicles are on the street near the church, and a row of buildings can be seen in the background to the left. The magazine's logo is printed over the church's bluish roof spires. The inside cover contains a table of contents, staff credits, and an editorial. digital.library.unt.edu/ark:/67531/metadc111235/
- DNA Profiling -- Forensics' Secret Weapon: A Work in Progress
- This poster discusses research on DNA profiling. The authors study at least ten court cases to look at the use of DNA over time in hopes of finding a correlation between the use of DNA to convict criminals and the use of other corroborating evidence, by doing this. The authors look at whether courts are convicting criminals solely on DNA evidence or if they need other evidence as well. They also look at court cases from varying years to learn if DNA is used more or less at this time because of the development of new technology that aids in DNA profiling. digital.library.unt.edu/ark:/67531/metadc86152/
- Disproportionation of Gold(II) Complexes. A Density Functional Study of Ligand and Solvent Effects
- This article discusses disproportionation of gold(II) complexes. Abstract: A computational study of gold(II) disproportionation is presented for the atomic ion as well as complexes with chloride and neutral ligands. The Au²⁺ atomic ion is stable to disproportionation, but the barrier is more than halved to 119 kcal/mol in an aqueous environment vs 283 kcal/mol in the gas phase. For dissociative disproportionation of chloride complexes, the loss of chlorine, either as an atom (∆Gaq = +20 kcal/mol) or as an anion (∆Gaq = +15 kcal/mol) represents the largest calculated barrier. The calculated transition state for associative disproportionation is only 9 kcal/mol above separated Auᴵᴵ complex, a nonpolar solvent is preferred. With the exception of [Au(CO₃]²⁺, disproportionation of AuᴵᴵL₃ complexes to AuᴵL and AuᴵᴵᴵL₃ is exergonic in solution phase for the ligands investigated. The driving force is provided by the very favorable solvation free energy of the trivalent gold complex. The solvation free energy contribution to the reaction (∆Gsolv) is very large for small and polar ligands such as ammonia and water. Furthermore, calculations imply that choosing ligands that would yield neutral species upon disproportionation may provide an effective route to thwart this decomposition pathway for Auᴵᴵ complexes. Likewise, bulkier ligands that yield larger, more weakly solvated complex ions would appear to be desirable. digital.library.unt.edu/ark:/67531/metadc77172/
- Effects of covalency on the p-shell photoemission of transition metals: MnO
- This article discusses the effects of covalency on the p-shell photoemission of transition metals. Abstract: The effect of the solid-state environment for an Mn cation in MnO on the Mn 2p- and 3p-shell x-ray photoemission spectra (XPS) has been investigated using ab initio relativistic wave functions for an embedded MnO6 cluster model of MnO. These wave functions include many-body effects due to the angular momentum coupling and recoupling of the open-shell electrons. They also include the covalent mixing of the metal d orbitals with ligand p orbitals. The treatment of covalency has not been included previously in ab initio theoretical studies of the 2p-shell XPS of transition-metal complexes. In this work, covalent interactions between the metal and ligands are treated on an equal footing with spin-orbit splittings. The four-component spinors used in these wave functions are optimized separately for the ground and for the 2p- and 3p-hole configurations. This orbital relaxation leads to a "closed-shell" interatomic screening of the Mn core hole. The different orbital sets optimized for the ground and core-ionized configurations mean that mutually nonorthogonal orbital sets are used to determine the matrix elements for the XPS relative intensities. The authors' treatment of the transition intensities is rigorous, and no approximations are introduced to handle the orbital nonorthogonality. The closed-shell screening is important because changes in the XPS obtained for the MnO6 cluster from that obtained for an isolated Mn2+ cation can be directly linked to this screening and to the consequent reduction in the values of certain exchange integrals. The present work is compared to prior, semiempirical calculations; these comparisons allow the authors to identify unresolved questions about the origin of certain features of the MnO XPS and to suggest further calculations to resolve these questions. digital.library.unt.edu/ark:/67531/metadc78324/
- A Priori Assessment of the Stereoelectronic Profile of Phosphines and Phosphites
- This article discusses research that has demonstrated the utility of a rigorously calibrated, molecular mechanics/semiempirical quantum mechanical protocol for developing stereoelectronic (Tolman) maps for phosphine ligands. A computational analysis of alkyl and aryl phosphines in common usage suggests that these ligands are quite similar stereoelectronically. A noticeable gap int he Tolman map for common phosphines is observed for large, electron-poor phosphines. Several candidates meeting these criteria were identified, the most promising of which is P(t-C₄F₉)₃. Phosphines in which the phosphorus participates in a ring, which comprise a very small subset of reported phosphines, have very interesting stereoelectronic properties, particularly those in which the ligating phosphorus is part of a three-membered ring. In terms of steric properties, the symmetric deformation coordinate proposed by Orpen and co-workers on the basis of crystallographic studies is calculated with sufficient accuracy using PM3(tm) to allow good confidence in predictions of novel phosphines. For quantification of the electronic properties of phosphines, the authors analyzed changes in the CO stretching frequency upon changing the ancillary phosphine ligands. digital.library.unt.edu/ark:/67531/metadc107782/
- Delivering Pretzels in Berlin
- Front cover of the Winter 2009 issue of The Hexagon, featuring a man in a Berlin shirt riding a bicycle laden with large pretzels. A small dog on a leash follows alongside of him. The inside cover has a table of contents, a list of staff, and an editorial. digital.library.unt.edu/ark:/67531/metadc111239/
- Enthalpy of Formation of the Cyclohexadienyl Radical and the C-H Bond Enthalpy of 1,4-Cyclohexadiene: An Experimental and Computational Re-Evaluation
- This article discusses the enthalpy of formation of the cyclohexadienyl radical and the C-H bond enthalpy of 1,4-cyclohexadiene. Abstract: A quantitative understanding of the thermochemistry of cyclohexadiene is beneficial for diverse areas of chemistry. Given the interest in these two species, it is surprising that more detailed thermodynamic data concerning the homolytic C-H bond enthalpies of such entities have not been forthcoming. The authors thus undertook an experimental and computational evaluation of (a) the enthalpy of formation of cyclohexadienyl radical (C₆H₇), (b) the homolytic C-H bond enthalpy of 1,4-cyclohexadiene (C₆H₈), and (c) the enthalpy of the addition of a hydrogen atom to benzene. Using laser photolysis experiments coupled with highly accurate ab initio quantum mechanical techniques, a newly recommended enthalpy of formation for C₆H₇ is determined to be 208.0 ± 3.9 kJ mol⁻¹, leading to a homolytic bond dissociation enthalpy of 321.7 ± 2.9 kJ mol⁻¹, almost 9 kJ mol⁻¹ higher than previously determined enthalpies that used less certain experimental values for the C₆H₇ enthalpy of formation. digital.library.unt.edu/ark:/67531/metadc107802/
- Evidence for the Net Addition of Arene C-H Bonds across a Ru(II)-Hydroxide Bond
- This articles discusses evidence for the net addition of arene C-H bonds. TpRu(PMe3)2(OH) (1) reacts with C6D6 to initiate H/D exchange between the hydroxide ligand and the deuterated benzene. In addition, complex 1 catalyzes H/D exchange between H20 and C6D6. Mechanistic and computational studies suggest that a likely reaction pathway for the H/D exchange involves loss of PMe3 to produce {TpRu(PMe3)(OH)}, followed by the net addition of a benzene C-H(D) bond across the Ru-OH bond to form the putative complex TpRu(PMe3)(OH2)(Ph). digital.library.unt.edu/ark:/67531/metadc77138/
- Evidence for Strong Tantalum-to-Boron Dative Interactions in (silox)3Ta(BH3) and (silox)3Ta(ɳ2-B,CI-BCI2Ph) (silox = tBu3SiO)1
- This article discusses strong tantalum-to-boron dative interactions. Abstract: Treatment of (silox)3 Ta (1, silox = tBu3SiO) with BH3·THF and BCI2Ph afforded (silox)3Ta(BH3) (2) and (silox)3Ta-(ɳ2-B,CI-BCI2Ph) (3), which are both remarkably stable Ta(III) compounds. NMe3 and ethylene failed to remove BH3 from 2, and no indication of BH3 exchange with BH3-THF-d8 was noted via variable-temperature 1H NMR studies. Addition of BH3-THF to (silox)3TaH2 provided the borohydride-hydride (silox)3HTa(ɳ3-BH4) (5), and its thermolysis released H2 to generate 2. Exposure of 2 to D2 enabled the preparation of isotopologues (silox)3Ta(BH3-nDn) (n = 0,2; 1,2-D; 2, 2-D₂; 3, 2-D₃) for isotopic perturbation of chemical shift studies, but these failed to distinguish between "inverse adduct" (i.e., (silox)3Ta→BH3) or (silox)3Ta(ɳ2-B,H-BH3) forms of 2. Computational models (RO)3Ta(BH3) (R = H, 2′-, SiH3, 2SiH SiMe3, 2SiMe, and SitBu3, 2SiBu) were investigated to assess the relative importance of steric and electronic effects on structure and bonding. With small R, ɳ2-B,H structures were favored, but for 2SiMe and 2SiBu, the dative structure proved to be similar in energy. The electronic and vibrational features of both structure types were probed. The IR spectrum of 2 was best matched by the ɳ2-B,H conformer of 2SiBu. In related computations pertaining to 3, small R models favored the oxidative addition of a BCI bond, while with R = SitBu3 (3SiBu), an excellent match with its X-ray crystal structure revealed the critical steric influence of the silox ligands. digital.library.unt.edu/ark:/67531/metadc77129/
- Experimental and Computational Studies of Ruthenium(II)-Catalyzed Addition of Arene C-H Bonds to Olefins
- This article discusses experimental and computational studies of Ruthenium(II)-Catalyzed addition of arene C-H bonds to olefins. Abstract: Hydroarylation reactions of olefins are catalyzed by the octahedral Ru(II) complex TpRu-(CO)(NCMe)(Ph) (1) (Tp = hydridotris(pyrazolyl)borate). Experimental studies and density functional theory calculations support a reaction pathway that involves initial acetonitrile/olefin ligand exchange and subsequent olefin insertion into the ruthenium-phenyl bond. Metal-mediated C-H activation of arene to form a Ru-aryl bond with release of alkyl arene completes the proposed catalytic cycle. The cyclopentadienyl complex CpRu(PPh3)2(Ph) produces ethylbenzene and styrene from a benzene/ethylene solution at 90 ˚C; however, the transformation is not catalytic. A benzene solution of (PCP)Ru(CO)(Ph) (PCP = 2,6-)CH2Pt-Bu2)2C6H3) and ethylene at 90 ˚C produces styrene in 12% yield without observation of ethylbenzene. Computational studies (DFT) suggest that the C-H activation step does not proceed through the formation of a Ru(IV) oxidative addition intermediate but rather occurs by a concerted pathway. digital.library.unt.edu/ark:/67531/metadc77180/
- Function of Conserved Residues of Human Glutathione Synthetase: Implications for the ATP-grasp Enzymes
- This article discusses human glutathione synthetase. Abstract: Glutathione synthetase is an enzyme that belongs to the glutathione synthetase ATP-binding domain-like superfamily. It catalyzes the second step in the biosynthesis of glutathione from y-glutamylcysteine and glycine in an ATP-dependent manner. Glutathione synthetase has been purified and sequenced from a variety of biological sources; still, its exact mechanism is not fully understood. A variety of structural alignment methods were applied and four highly conserved residues of human glutathione synthetase (Glu-144, Asn-146, Lys-305, and Lys-364) were identified in the binding site. The function of these was studied by experimental and computational site-directed mutagenesis. The three-dimensional coordinates for several human glutathione synthetase mutant enzymes were obtained using molecular mechanics and molecular dynamics simulation techniques, starting from the reported crystal structure of human glutathione synthetase. Consistent with circular dichroism spectroscopy, the authors' results showed no major changes to overall enzyme structure upon residue mutation. However, semiempirical calculations revealed that ligand binding is affected by these mutations. The key interactions between conserved residues and ligands were detected and found to be essential for enzymatic activity. Particularly, the negatively charged Glu-144 residue plays a major role in catalysis. digital.library.unt.edu/ark:/67531/metadc75414/
- Correlation and prediction of solute transfer to chloroalkanes from both water and the gas phase
- This article discusses the correlation and prediction of solute transfer to chloroalkanes from both water and the gas phase. Data have been compiled from the published literature on the partition coefficients of solutes and vapors into chloroform, carbon tetrachloride, dichloromethane and 1-chlorobutane from both water and from the gas phase. The logarithms of the water-to-chloroalkane (log P) and gas-to-chloroalkane partition coefficients (log K) are correlated with the Abraham solvation parameter model. The derived correlations describe the observed log P and log K values within standard deviations of about 0.13-0.20 log units. For chloroform and carbon tetrachloride, the derived correlations were validated using training set and test set analyses. digital.library.unt.edu/ark:/67531/metadc155630/
- Enthalpy of solvation correlations for gaseous solutes dissolved in dimethyl sulfoxide and propylene carbonate based on the Abraham model
- This article discusses enthalpy of solvation correlations for gaseous solutes dissolved in dimethyl sulfoxide and propylene carbonate based on the Abraham model. Abstract: Data have been assembled from the published literature on the enthalpies of solvation for more than 100 compounds in dimethyl sulfoxide and propylene carbonate. It is shown that an Abraham solvation equation with five descriptors can be used to correlate the experimental solvation enthalpies to within standard deviations of 2.80 and 2.61 kJ/mol for dimethyl sulfoxide and propylene carbonate, respectively. The derived correlations provide very accurate mathematical descriptions of the measured enthalpy of solvation data at 298 K, which in the case of dimethyl sulfoxide span a range of about 92 kJ/mol. Division of the experimental values into a training set and a test set shows that there is no bias in predictions, and that the predictive capability of the correlations is better than 3.6 kJ/mol. digital.library.unt.edu/ark:/67531/metadc155626/