bluuebunny/crossref_metadata_2025_split huggingface dataset:
Advances in local hybrid exchange‐correlation functionals: from thermochemistry to magnetic‐resonance parameters and hyperpolarizabilities
Authors: Arbuznikov Alexei V. , Kaupp Martin 
Published: September 2010

AbstractA short overview of recent advances in our lab regarding the construction and validation of local hybrid functionals is given. Local hybrids are a promising new generation of exchange‐correlation functionals, in which exact exchange is admixed in a position‐dependent fashion. The admixture is controlled by a so‐called local mixing function (LMF). We discuss different strategies to construct LMFs (semiempirical vs. ab initio), different levels of the implementation of local hybrids (self‐consistent vs. nonself‐consistent), and some methodological aspects associated with the calculation of second‐order magnetic properties (a coupled‐perturbed scheme for general hyper‐GGA functionals). Some examples for the performance of local hybrids in the description of various molecular properties are provided. We focus in particular on an evaluation of longitudinal (hyper)polarizabilities of model hydrogen chains, known to be a challenge for semilocal density functionals. Here local hybrids give closer agreement with experiment than the B3LYP global hybrid. Notably, however, an LMFg(r) = 0.48 τW/τ without proper asymptotic behavior performs better than an LMFg(r) = erf(0.22s) (sis the dimensionless density gradient), which has the correct long‐range behavior. Similar results are also found for the (hyper)polarizabilities of the noble‐gas atoms. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Computational studies of the optical properties of silicon compounds bonding to silver atoms and with group III and V substituents
Authors: Arlund David , Micha David A. , Kilin Dmitri S. 
Published: September 2010

AbstractSystems composed of silicon chains and silicon rings, either bonding to one or more Ag atoms or containing substituents from Group III (B, Al, and Ga) or Group V (N, P, and As) elements, have been computationally studied with density functional (DFT) and time‐dependent DFT methods to obtain their optical properties. Calculations have provided atomic conformations, excitation energies, and electronic oscillator strengths. Results are presented for 58 compounds to extract the correlation between absorbed light wavelengths, rates of absorption, and the size and composition of the systems, in a way that facilitates comparison of their optical properties. Analyses of the results provide insight on trends relevant to the absorption of near IR, visible, and near UV light. This is of interest in the preparation of surface materials by chemical vapor deposition for photovoltaics and in the utilization of solar energy. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
Sur le 2.5. di‐oxyméthyl‐furfurane
Authors: Blanksma J. J. 
Published: September 2010

AbstractL'oxyméthylfurfurol fournit par l'action de la soude caustique en solution aqueuse concentrée avec un bon rendement l'acide oxyméthyl‐pyromucique et le 2.5. dioxyméthyl‐furfurane.Je tiens à apporter ici mes remercîments à M. van der Gronden qui m'a prêté son concours.
Studies on the nature of some dilute and concentrated non‐electrolytes
Authors: van Ruyven B. H. 
Published: September 2010

AbstractAlthough we may one day hope to obtain a general equation for solutions based on the molecular kinetic theory, that day has not yet come; and it is open to doubt whether, when that general equation is obtained. it will bear much resemblance to the general gas equation.Alexander FindlayMongraphs on Inorganic and Physical Chemistry. Osmotic Pressure by Alexander Findlay, sec. ed., p. 52.
The determination of explosion limits
Authors: Lindeijer E. W. 
Published: September 2010

AbstractThe author proposes to accept the progressive reaction, which is possible in many gas mixtures (and mixtures of solid substances) when the reaction is started locally, as the criterion of explosivity. An explosion limit is then exclusively a property of the mixture under the given conditions and the confusing “influence of the ignition” can be eliminated completely. To this end a distinction is made between explosion limits and ignition limits and because also the latter, in contrast to the former, are of less interest in practice, is a method given according to which reliable results on the position of these explosion limits can be obtained in a simple manner.
Some experiments on the catatorulin‐effect
Authors: Westenbrink H. G. K. , Polak J. J. 
Published: September 2010

AbstractThe oxygen uptake of brain tissue (suspended in Ringer‐phosphatepyruvate solution) of pigeons in avitaminosis B1 was measured by the method of Warburg. It was increased by adding vitamin B1 in vitro (Peters's catatorulin effect). This increase was dependent on the time at which the vitamin was added: the maximum effect was obtained when the vitamin was added before the beginning of the respiration experiment. Moreover an induction period was observed when the vitamin was added during the estimation of the oxygen uptake. No induction period was observed when pyruvate was added to the tissue suspension which contained vitamin already.All observations may be explained by the hypothesis that the oxygen uptake of the avitaminous brain in the presence of pyruvic acid is not catalysed by free vitamin B1, but by a compound of the vitamin and a still unknown labile substance.
Separation of isotopes by diffusion in fast streaming mercury vapour)
Authors: Mac Gillavry D. 
Published: September 2010

AbstractA new diffuser has been developed for the study of diffusion in fast streaming mercury vapours. The diffuser has been used successfully for the concentration of the hydrogen isotopes.The theoretical expressions for the fractionation ratio and the output in terms of the mercury velocity and the dimensions of such diffusers have been tested.
On aliphatic polyamines IV
Authors: van Alphen J. 
Published: September 2010

AbstractThe high boiling amines, obtained by the interaction of 1: 3‐dibromo‐propane and 1: 2‐diamino‐ethane hydrate, have been investigated. The lower terms contain straight chains of dimethylene and trimethylene groups separated by nitrogen atoms but in the higher boiling fractions cyclic amines are present.
The reaction between nickel carbonyl and thiophosgene (CSCI2) and the supposed polymeric carbon monosulphide of dewar)
Authors: Mayer K. , Wibaut J. P. 
Published: September 2010

AbstractThe amorphous, brownish black substance obtained by Dewar and Jones from nickel carbonyl and thiophosgene, has not the composition (CS)x but contains organically combined chlorine. The reaction has been carried out in various solvents; the amorphous reaction products have been completely analysed and it appears that the solid adsorbs the solvent, which cannot be completely removed. The C: S ratio in these products therefore varies from 1: 0.8 to 1: 0.9.The reaction was also carried out in the vapour phase. The amorphous product so obtained also contained organically combined chlorine while the C:S ratio was 1: 1.03 in this case.Thus the product produced from nickel carbonyl and thiophosgene is not a polymeric form of carbon monosulphide.
Die Aetherischen Blattöle einiger Languas‐(Alpinia‐)Arten
Authors: Ultée A. J. 
Published: September 2010

AbstractDank den bei der Untersuchung einiger aetherischen Öle der Rhizome erhaltenen Ergebnissen konnten in den Blattölen von Languasarten, obwohl nur geringe Mengen zur Verfügung standen, verschiedene Bestandteile identifiziert werden. Es ergab sich, dass die Zusammensetzung des Blattöls viel übereinstimmung mit der des Rhizomöles derselben Pflanze zeigt.Nachgewiesen werden: In dem Blattöl von Languas Romburghiana (Val) α‐Pinen, β‐Pinen, Cineol, Campher, Borneol und Methycinnamat; in dem Blattöl von Languas speciosa Small α‐Pinen, β‐Pinen, Cineol und ein Zimtsäureester, wahrscheinlich Methylcinnamat; in dem Blattöl von Languas Schumanniana Sasaki Campher, in dem Blattöl von Languas malaccensis Merr. ausser den bereits von van Romburgh nachgewiesenen Bestandteilen (d‐α‐Pinen und Methycinnamat) β‐Pinen und Cineol.
The action of hydrazine and methylhydrazine on 1: 3‐dichloro‐4: 6‐dinitrobenzene and derivatives of the compounds so obtained
Authors: Robert J. L. 
Published: September 2010

AbstractThe following have been made by the action of hydrazine and/or methyl‐hydrazine on 1: 3‐dichloro‐4: 6‐dinitrobenzene in alcoholic solution: 3‐chloro‐4: 6‐dinitrophenylhydrazine, α‐(3‐chloro‐4: 6‐dinitrophenyl)‐α‐methylhydrazino)‐4: 6‐dinitrobenzene and l‐hydrazino‐3‐(α‐methylhydrazino)‐4: 6‐dinitrobenzene.A number of derivatives of each of the above mentioned compounds were prepared by condensation with various aldehydes and ketones.A start has also been made with an investigation on the oxidation of substituted phenylene di‐(methyl) hydrazines with different oxidising agents.
2,6‐Diséléna‐4‐Spiroheptane et Autres Sélénacyclobutanes
Authors: Backer H. J. , Winter H. J. 
Published: September 2010

AbstractLa réaction entre le tétra‐(bromométhyl)‐méthane et le séléniure potassique donne avec un bon rendement le 2,6‐diséléna‐4‐spiroheptane (II), tandis que l'anneau simple du sélénacyclobutane (3 C et 1 Se) s'obtient difficilement. La cyclisation de l'1,3‐dibromopropane par le séléniure potassique est facilitée également par la présence d'un autre anneau (cyclohexane) ou de deux groupes méthyliques fixés à l'atome central. L'atome de sélénium des sélénacyclobutanes fixe les sels mercuriques, l'oxygène (sélénones) et l'iode, tandis que l'anneau s'ouvre sous l'influence de chlore, de brome et d'iodure méthylique.
A completion of Krafft's proof of the structure of cetene
Authors: Langedijk S. L. , Stedehouder P. L. 
Published: September 2010

AbstractThe proof given by Krafft for the terminal position of the double bond in cetene is not complete, as during the formation of cetyne‐1 from cetene dibromide the possibility was not precluded of a rearrangement under the influence of powdered KOH.In the present paper it is demonstrated that: 1. This rearrangement does not take place; 2. During the preparation of cetyne‐2 from cetene dibromide under the influence of alcoholic KOH cetyne‐1 is the first reaction product.This conclusively shows that cetene is hexadecene‐1.
Uber einige Mesitylenderivate. II): Derivate von bis‐(2.4.6′trimetylphenyl)‐Methan (Dimesitylmethan)
Authors: Nauta W. Th. , Wuis P. J. 
Published: September 2010

AbstractErsatz eines H‐Atoms der CH2Cl‐Gruppe in 11‐Chlor‐1,2,4,6‐tetramethylbenzen (Mesitylchlormethan) durch einen zweiten Mesitylrest erhöht die Reaktionsfähigkeit des Cl‐Atoms. Das Dimesitylchlormethan gleicht (in Leitfähigkeit im flüssigen Schwefeldioxyd, Halochromie und Möglichkeit zu Radikalbildung) dem Triphenylchlormethan.
Nitration and halogenation of 1:2‐bis‐(phenylamino)‐ethane and its derivatives. I
Authors: Schouten A. E. 
Published: September 2010

Abstract1:2‐Bis‐(phenylamino)‐ethane and N.N′‐diphenylpiperazine are produced by the interaction of aniline and 1:2‐dibromoethane. The nitration and halogenation of various nitro‐, halogeno‐ and acetyl derivatives of 1:2‐bis‐(phenylamino)‐ethane are described. The nitration of the bye‐products, the N.N′‐diphenylpiperazine derivatives, is also discussed. In this case the piperazine ring is opened, so that the same nitration products are obtained from either 1:2‐bis‐(phenylamino)‐ethane, or N.N′‐diphenylpiperazine.
Molekuelgestalt und Kohaesion: I. Intramolekulare Absättigung der Kohäsionskräfte bei langen fadenförmigen Molekülen
Authors: Berger G. 
Published: September 2010

AbstractDie Siedepunkte der normalen aliphatischen Kohlenwasserstoffe widersprechen der Londonschen Theorie der Kohäsionskräfte. Der Widerspruch wird durch die Annahme einer intramolekularen Absättigung der Kohäsionskräfte, welche durch die gekrümmte Gestalt der langen Kohlenstoffketten im flüssigen Zustande hervorgerufen wird, erklärt. Auf Grund dieser Annahme wird die Sugdensche Siedepunktsformel abgeleitet, die mit der Erfahrung weitgehend übereinstimmt.
Der Photographische Nachweis von Thoriumoxyd in Glühdrähten
Authors: van Liempt J. A. M. , van Uden J. H. M. 
Published: September 2010

Abstract
Der Nachweis von Thoriumoxyd in Wolframglühdrähten mittels der Schwärzung, welche die Radioaktivität des Thoriumatoms auf photographischen Negativmaterial hervorruft, wurde in den Einzelheiten untersucht.
Für diesen Nachweis sind Schumannplatten am besten geeignet, dann folgen die höchstempflindlichsten normalen Platten. Die Empfindlichkeit steigt bei grösserer Drahtdicke, grösserem Thoriumoxydgehalt, längerer Einwirkungszeit und grösserem Feuchtigkeitsgehalt der Luft.
Gezogene Drähte schwärzen stärker als rekrystallisierte Drähte und Einkrystalldrähte.
Reine Thoriumdrähte geben eine sehr starke Schwärzung.
Synthesis of some heterocyclic compounds. II
Authors: Cullinane N. M. , Morgan N. M. E. , Plummer C. A. J. 
Published: September 2010

AbstractA number of heterocyclic compounds have been synthesised, including diphenylene oxide, diphenylene sulphide, diphenylene selenide and diphenylene diselenide (selenanthren).Treatment of o‐phenylphenol with 70% sulphuric acid affords not diphenylene but the sultone of 2‐hydroxydiphenyl‐2′‐sulphonic acid, formed by elimination of water from the hydroxyacid.
Die Löslichkeit von Krypton in verschiedenen Flüssigkeiten
Authors: van Liempt J. A. M. , van Wijk W. 
Published: September 2010

AbstractIn verschiedenen Flüssigkeiten wurde die Löslichkeit von Krypton bestimmt. Sie ist viel grösser als die des Argons.Eine gute Sperrflüssigkeit für Krypton ist reines Glycerol.
The diffusion of an electrolyte: II. Experimental part
Authors: Hermans J. J. 
Published: September 2010

AbstractII. Experimental Part: Measurements of the e.m.f. of the following cells are described: Ag/AgCl/NaCl c1/NaCl c2/AgCl/Ag, water 18°.Ag/AgCl/BaCl2 c1/BaCl2 c2/AgCl/Ag, water 18°.Ag/AgCl/HCl 0.0335/HCl c/AgCl/Ag, alcohol‐water 25°.Pt/H2/HCl 0.0335/HCl c/H2/Pt, alcohol‐water 25°.Moreover the equivalent conductivity and the transport number of HCl in alcohol‐water at 25° are determined. The results obtained are compared with the theoretical expression for the diffusion potential, arrived at in the theoretical part.
Some reactions of 2‐bromo‐ and 3‐bromoquinolines
Authors: Jansen H. E. , Wibaut J. P. 
Published: September 2010

Abstract2‐ and 3‐Aminoquinolines were obtained by heating 2‐ and 3‐bromoquinoline respectively with liquid ammonia in the presence of copper powder as a catalyst. 2‐ and 3‐Cyanoquinolines were prepared from the corresponding bromoquinolines by heating with copper cyanide by the method described by Craig (4) for the preparation of 2‐cyanopyridine.The bromoquinolines do not react wih magnesium or with sodium malonate. 2‐Bromoquinoline reacts with potassium pyrrole to form 2‐ (2′ ‐pyrryl) ‐quinoline.
The preparation of symmetric and asymmetric aminopropanediol and of some of their derivatives
Authors: den Otter H. P. 
Published: September 2010

AbstractIn the following workPart of a dissertation.
) the derivatives are described which were obtained when 2‐aminopropanediol‐1,3 and 3‐aminopropanediol‐1,2 were coupled with aromatic nitro‐compounds containing a substitutive chlorine atom such as 1‐chloro‐2,4‐dinitrobenzene, 1‐chloro‐2,4,6‐trinitrobenzene, 1‐chloro‐2,4‐dinitronaphthalene and 1,3‐dichloro‐4,6‐dinitrobenzene. On nitration, the substances thus obtained gave explosive compounds which were comparable with a combination of trinitrophenylmethylnitramine (tetryl) and nitroglycerine.For comparison, the attempt has been made to couple d. glucosamine with aromatic halogen‐nitro‐compounds, and to nitrate the products so obtained.
On the dipole moments of some organic aliphatic compounds
Authors: Stevels J. M. 
Published: September 2010

AbstractIt is shown that the trend of the atomic refraction of a definite hydrogen or halogen atom in a certain series of methane derivatives can be correlated with the trend of the dipole moments of these substances. It turns out, that it is not necessary to assume a repulsion effect between the halogen atoms in CHX3 to explain the difference of the dipole moments of CH3X and CHX3.The theory is extended to halogenated alkanes with more than one carbon atom. All the regularities occurring here can be explained in a simple way.Generally speaking, the dipole moments of the compounds considered can be understood satisfactorily when we notice the number and the strength of the bonds of the hydrogen atoms on the carbon atom, which also carries the halogen atoms.
Die Dampfspannungen in den Dreiphasengleichgewichten des Systems Natriumjodid‐Wasser
Authors: Dingemans P. 
Published: September 2010

AbstractNach den ersten Dampfspannungsmessungen an diesem System, die bereits aus dem Jahre 1894 stammen und keine grosse Genauigkeit aufweisen, finden wir über diesen Gegenstand in der neueren Literatur nur eine sehr beschränkte Zahl von Beobachtungen.Eine systematische und genaue Untersuchung des gesamten Systems wurde jetzt ausgeführt, und nachstehend folgen die vollständigen Dampfspannungskurven zwischen 10 und 100° C von den monovarianten Dreiphasengleichgewichten:
NaJ. 2 H2O + NaJ + H2O‐Dampf,
NaJ. 2 H2O + gesättigte Lösung + H2O‐Dampf,
NaJ + gesättigte Lösung + H2O‐Dampf.Im Zusammenhang mit den auseinander laufenden Werten, die dafür veröffentlicht worden sind, wurde auch die Lage des Übergangspunktes von NaJ. 2 H2O auf zweierlei verschiedene Weise von neuem bestimmt.
Elektrolyse mit Strömender Flüssigkeit
Authors: Hallie G. 
Published: September 2010

AbstractDie Acetat‐Elektrolyse und der Einfluss fremder Anionen darauf wurde bei niedriger Temperatur und unter Arbeiten mit strömender Flüssigkeit untersucht.Es ergab sich, dass die Reaktionen ganz einschneidende Veränderungen erfahren. Während der Untersuchung wurde Methylperchlorat elektrolytisch dargestellt, und anodisch aus Nitrat gebildetes Nitrit festgestellt.
Caramel and humin. A contribution to the knowledge of the decomposition products of sugars
Authors: Schweizer A. 
Published: September 2010

AbstractIt soon appears from an examination of caramel, which is produced by heating sucrose, that a close connection must exist with the humins, to which previous investigators had already drawn attention. This has led to the sugar‐humins being subjected to a closer study. Oxidation with alkaline hydrogen peroxide, the action of halogens and oxidation with nitric acid led to the result, that sugar‐humin is a polymerised dehydration product of sucrose, in which the hexose skeleton remains intact. A structural formula for the humin nucleus can be built up on the data so obtained.Caramel appears to be a mixture of humin and iso‐saccharosan, in varying proportions, depending on the degree of dehydration. Caramelisation begins with the formation of iso‐saccharosan, which then gives humin directly. The substances described in the literature as caramelan, caramelene and carameline, are not chemical individuals, but mixtures of humin and iso‐saccharosan.
Refraktometrische Oelbestimmung in Aleurites‐Samen
Authors: Frahm E. D. G. , Koolhaas D. R. 
Published: September 2010

AbstractDie refraktometrische Ölbestimmung mittelst α‐Bromnaphthalin nach Leithe gibt bei der Anwendung auf Aleurites‐Samen gute Resultate, wenn man die Refraktion des Öles gesondert bestimmt. Bei Aleurites‐montana‐Samen kann der Ölgehalt ohne weiters nach der Mischunsregel berechnet werden; bei Aleurites‐moluccana‐Samen muss der Brechungsexponent des Öles bei der Berechnung um 0.0005 erhöht werden.
Die Addition und die Additionsprodukte der Halogene und Benzenderivate X. Das sogenannte Hexabromdihydrobenzen
Authors: van der Linden T. 
Published: September 2010

AbstractDas Ziel dieser Arbeit war die Feststellung der richtigen Formel der in der Literatur als Hexabromdihydrobenzen (Hexabromcyclohexadien) beschriebenen Verbindung, weil die Richtigkeit dieser Auffassung bezweifelt werden muss. Aus der Zusammensetzung der aus dieser Substanz erhaltenen Bromadditionsprodukte und aus der Bildung des Pentabrombenzens beim Erhitzen auf höhere Temperatur wurde die Richtigkeit der experimentellen Formel C6H2Br6 erwiesen. Durch die Darstellung von Dodekachlorhexan aus dieser Substanz bei der Einwirkung eines Übermasses an Chlor und durch die Bildung der gleichen Verbindung aus normalem Hexan wurde gezeigt, dass das C6H2Br6 keine Ringstruktur, sondern eine normale Kohlenstoffkette besitzt.Die meist wahrscheinliche Strukturformel wurde aufgestellt.
Deacylierung von Acyl‐Tritylglycerolen und Anwendungen Derselben. I
Authors: Verkade P. E. , van der Lee J. 
Published: September 2010

AbstractAus Stearyl‐tritylglycerolen lassen sich durch kurzes Erhitzen auf 40° mit einer verdünnten Lösung von Natriumhydroxyd in absolutem Äthanol die Stearylgruppen leicht abspalten, während die Tritylgruppen ihren ursprünglichen Platz behalten.Die bisher unbekannten Tritylglycerole (α.Monotritylglycerol und αβ.‐Ditritylglycerol) wurden durch einen solchen Deacylierungsprozess hergestellt.Verschiedene Anwendungsmöglichkeiten dieser Deacylierung (z.B. beim systematischen Studium der Acylwanderung) werden angegeben.
Note on the preparation of n‐dodecylamine and di‐n‐dodecylamine from n‐dodecyl chloride by means of anhydrous liquid ammonia
Authors: Wibaut J. P. , Heierman F. , Wagtendonk H. M. 
Published: September 2010

AbstractBy heating n‐dodecyl chloride with anhydrous liquid ammonia at 75‐80°, a mixture of n‐dodecylamine and n‐didodecylamine is obtained. Didodecylamine shows a solidification point of 44.4°; the solidification point of dodecylamine is 26.2°.
Zur Kenntnis der Walden'schen Umkehrung II: Die Umsetzung von cis‐ und trans‐2‐Aminobicyclopentyl mit salpetriger Säure
Authors: Hückel Walter , Gross Albrecht , Doll Willy 
Published: September 2010

AbstractDie beiden cis‐trans‐isomeren 2‐Aminobicyclopentyle geben bei der Umsetzung mit salpetriger Säure den Alkohol entgegengesetzter Konfiguration. Daneben wird in ungefähr gleicher Menge Kohlenwasserstoff, 1‐Cyclopentyl‐cyclopenten‐1 gebildet.
Stereoisomerism of cyclohexanediols (II). Some remarks on the preparation and properties of the 1:4‐cyclohexanediols
Authors: Coops J. , Dienske J. W. , Smit W. M. 
Published: September 2010

AbstractIn a previous communication J. Coops, J. W. Dienske and Alb. Aten, Rec. trav. chim. 57, 303 (1938).
), the hydrolysis of cis‐ and trans‐1:4‐cyclohexane‐di‐tritylether with hydrochloric acid in water and propanone. is described. In order to confirm the results obtained in that paper, a method has been worked out, by which these ethers are quantitatively decomposed by treatment with dry hydrogen chloride in anhydrous benzene or chloroform solution. The diols separate as hydrogen chloride addition compounds (with benzene of crystallisation), which dissociate completely in the solid state. The 1:4‐cyclohexanediol preparations obtained by both these methods, were absolutely identical. There appears to be no conversion of cis → trans or vice versa in these reactions. The cis‐diol is converted at 101°. 4 into a liquid crystalline phase, melting at 113°.0. The first process requires about four times as much heat as the second.
Beitrag zur Stereochemie des Siebengliedrigen Kohlenstoffringes
Authors: Hermans P. H. , Maan Chr. J. 
Published: September 2010

AbstractDie früher vorhergesagten Verhältnisse bezüglich der innermolekularen sterischen Hinderung im Molekül des Cycloheptans werden mit Hilfe Stuartscher Atommodelle untersucht und mit Rücksicht auf das unterschiedliche Verhalten der cis‐ und trans‐Cycloheptandiole einerseits und des cis‐Cyclohexandiols anderseits gegenüber Borsäure erörtert.