Pub Date : 2002-08-01DOI: 10.1016/S1472-7862(03)00069-8
Qi Li , Hai-Yan Hu , Chi-Keung Lam , Thomas C.W. Mak
New inclusion complexes 3[(C2H5)4N+C4H3N2OS−]·(NH2)2CS·H2O (1) and (n-C3H7)4N+C4H3N2OS−·(NH2)2CS·2H2O (2) have been prepared and characterized by X-ray crystallography. In the crystal structure of 1, thiourea molecules, 2-thiouracil anions and water molecules generate a layer structure extending parallel to the (101) family of planes that involve typical O–H···O, N–H···O, O–H···S and N–H···S, N–H···N−hydrogen bonds, as well as weak C–H···O and C–H···S hydrogen bonds. The tetraethylammonium cations are arranged orderly between the stacked layers in a sandwich-like packing mode. Complex 2 features a three-dimensional host lattice containing intersecting open channels extending along the [001], [110] and [10] directions that are constructed through conventional hydrogen bonds. The tetra-n-propylammonium cations are accommodated in a zigzag fashion within each channel.
{"title":"Novel layer- and channel-type anionic host lattices built of thiourea, 2-thiouracil anion and water","authors":"Qi Li , Hai-Yan Hu , Chi-Keung Lam , Thomas C.W. Mak","doi":"10.1016/S1472-7862(03)00069-8","DOIUrl":"https://doi.org/10.1016/S1472-7862(03)00069-8","url":null,"abstract":"<div><p>New inclusion complexes 3[(C<sub>2</sub>H<sub>5</sub>)<sub>4</sub>N<sup>+</sup>C<sub>4</sub>H<sub>3</sub>N<sub>2</sub>OS<sup>−</sup>]·(NH<sub>2</sub>)<sub>2</sub>CS·H<sub>2</sub>O (<strong>1</strong>) and (<em>n</em>-C<sub>3</sub>H<sub>7</sub>)<sub>4</sub>N<sup>+</sup>C<sub>4</sub>H<sub>3</sub>N<sub>2</sub>OS<sup>−</sup>·(NH<sub>2</sub>)<sub>2</sub>CS·2H<sub>2</sub>O (<strong>2</strong>) have been prepared and characterized by X-ray crystallography. In the crystal structure of <strong>1</strong><span>, thiourea<span><span> molecules, 2-thiouracil anions and water molecules generate a layer structure extending parallel to the (101) family of planes that involve typical O–H···O, N–H···O, O–H···S and N–H···S, N–H···N−hydrogen bonds, as well as weak C–H···O and C–H···S hydrogen bonds. The </span>tetraethylammonium cations are arranged orderly between the stacked layers in a sandwich-like packing mode. Complex </span></span><strong>2</strong> features a three-dimensional host lattice containing intersecting open channels extending along the [001], [110] and [1<span><math><mtext>1</mtext></math></span>0] directions that are constructed through conventional hydrogen bonds. The tetra-<em>n</em>-propylammonium cations are accommodated in a zigzag fashion within each channel.</p></div>","PeriodicalId":100833,"journal":{"name":"Journal of Supramolecular Chemistry","volume":"2 4","pages":"Pages 473-478"},"PeriodicalIF":0.0,"publicationDate":"2002-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/S1472-7862(03)00069-8","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72112030","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2002-08-01DOI: 10.1016/S1472-7862(03)00059-5
Alexei B Burdukov , Galina I Roschupkina , Yury V Gatilov , Sergei A Gromilov , Vladimir A Reznikov
The series of compounds M(dbmCN)2 (dbmCN=dibenzoylacetonitrile, M=Cu, Co, Ni, Mn, Fe) has been synthesized and structurally characterized. The compounds exhibit robust metal-organic framework of cubic symmetry, and are capable of clathration of small molecules.
{"title":"The first example of the cubic NbO-type metal–organic framework derived from a metal bis-chelate","authors":"Alexei B Burdukov , Galina I Roschupkina , Yury V Gatilov , Sergei A Gromilov , Vladimir A Reznikov","doi":"10.1016/S1472-7862(03)00059-5","DOIUrl":"https://doi.org/10.1016/S1472-7862(03)00059-5","url":null,"abstract":"<div><p>The series of compounds M(dbmCN)<sub>2</sub> (dbmCN=dibenzoylacetonitrile, M=Cu, Co, Ni, Mn, Fe) has been synthesized and structurally characterized. The compounds exhibit robust metal-organic framework of cubic symmetry, and are capable of clathration of small molecules.</p></div>","PeriodicalId":100833,"journal":{"name":"Journal of Supramolecular Chemistry","volume":"2 4","pages":"Pages 359-363"},"PeriodicalIF":0.0,"publicationDate":"2002-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/S1472-7862(03)00059-5","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72115749","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2002-08-01DOI: 10.1016/S1472-7862(03)00059-5
A. B. Burdukov, G. I. Roschupkina, Yury V. Gatilov, S. Gromilov, V. Reznikov
{"title":"The first example of the cubic NbO-type metal–organic framework derived from a metal bis-chelate","authors":"A. B. Burdukov, G. I. Roschupkina, Yury V. Gatilov, S. Gromilov, V. Reznikov","doi":"10.1016/S1472-7862(03)00059-5","DOIUrl":"https://doi.org/10.1016/S1472-7862(03)00059-5","url":null,"abstract":"","PeriodicalId":100833,"journal":{"name":"Journal of Supramolecular Chemistry","volume":"4 1","pages":"359-363"},"PeriodicalIF":0.0,"publicationDate":"2002-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72657477","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2002-08-01DOI: 10.1016/S1472-7862(03)00049-2
K. Udachin, C. Ratcliffe, J. Ripmeester
{"title":"Single Crystal Diffraction Studies of Structure I, II and H Hydrates: Structure, Cage Occupancy and Composition","authors":"K. Udachin, C. Ratcliffe, J. Ripmeester","doi":"10.1016/S1472-7862(03)00049-2","DOIUrl":"https://doi.org/10.1016/S1472-7862(03)00049-2","url":null,"abstract":"","PeriodicalId":100833,"journal":{"name":"Journal of Supramolecular Chemistry","volume":"25 1","pages":"405-408"},"PeriodicalIF":0.0,"publicationDate":"2002-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72759571","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2002-08-01DOI: 10.1016/S1472-7862(03)00054-6
J. Lipkowski, V. Komarov, T. Rodionova, Yu. A. Dyadin, L. Aladko
{"title":"The Structure of Tetrabutylammonium Bromide Hydrate (C4H9)4NBr·21/3H2O","authors":"J. Lipkowski, V. Komarov, T. Rodionova, Yu. A. Dyadin, L. Aladko","doi":"10.1016/S1472-7862(03)00054-6","DOIUrl":"https://doi.org/10.1016/S1472-7862(03)00054-6","url":null,"abstract":"","PeriodicalId":100833,"journal":{"name":"Journal of Supramolecular Chemistry","volume":"6 1","pages":"435-439"},"PeriodicalIF":0.0,"publicationDate":"2002-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78877517","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2002-08-01DOI: 10.1016/S1472-7862(03)00072-8
V. Belosludov, T. Inerbaev, O. Subbotin, R. Belosludov, J. Kudoh, Y. Kawazoe
{"title":"Thermal expansion and lattice distortion of clathrate hydrates of cubic structures I and II","authors":"V. Belosludov, T. Inerbaev, O. Subbotin, R. Belosludov, J. Kudoh, Y. Kawazoe","doi":"10.1016/S1472-7862(03)00072-8","DOIUrl":"https://doi.org/10.1016/S1472-7862(03)00072-8","url":null,"abstract":"","PeriodicalId":100833,"journal":{"name":"Journal of Supramolecular Chemistry","volume":"14 1","pages":"453-458"},"PeriodicalIF":0.0,"publicationDate":"2002-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88993883","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2002-08-01DOI: 10.1016/S1472-7862(03)00070-4
J. Tse, D. Klug
{"title":"Formation and Decomposition Mechanisms for Clathrate Hydrates","authors":"J. Tse, D. Klug","doi":"10.1016/S1472-7862(03)00070-4","DOIUrl":"https://doi.org/10.1016/S1472-7862(03)00070-4","url":null,"abstract":"","PeriodicalId":100833,"journal":{"name":"Journal of Supramolecular Chemistry","volume":"20 1","pages":"467-472"},"PeriodicalIF":0.0,"publicationDate":"2002-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82256061","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2002-08-01DOI: 10.1016/S1472-7862(03)00054-6
Janusz Lipkowski , Vladislav Yu Komarov , Tatyana V Rodionova , Yuri A Dyadin , Luydmila S Aladko
The results of the investigation using single crystal X-Ray diffraction analysis of tetrabutylammonium bromide hydrate structure (C4H9)4NBr·21/3H2O, which was discovered in the tetrabutylammonium bromide–water binary system within the range of concentrated solutions, are presented in this communication. The (C4H9)4NBr·21/3H2O compound is crystallized in the trigonal space group R3c, a=16.609(1) Å, c=38.853(2) Å. The structure is a packing of tetrabutylammonium cations and clusters composed of hydrogen-bonded water molecules and bromide anions. The change of water functions is discussed within one binary system tetrabutylammonium bromide–water. In the clathrate formation region water plays the role of the host, forming the water–anion host framework in clathrate polyhydrates, while in the region of concentrated solutions, in the case of (C4H9)4NBr·21/3H2O compound, water functions as a guest, forming water-anion guest particle.
{"title":"The Structure of Tetrabutylammonium Bromide Hydrate (C4H9)4NBr·21/3H2O","authors":"Janusz Lipkowski , Vladislav Yu Komarov , Tatyana V Rodionova , Yuri A Dyadin , Luydmila S Aladko","doi":"10.1016/S1472-7862(03)00054-6","DOIUrl":"https://doi.org/10.1016/S1472-7862(03)00054-6","url":null,"abstract":"<div><p><span>The results of the investigation using single crystal X-Ray diffraction analysis of tetrabutylammonium bromide hydrate structure (C</span><sub>4</sub>H<sub>9</sub>)<sub>4</sub>NBr·2<sup>1</sup>/<sub>3</sub>H<sub>2</sub><span>O, which was discovered in the tetrabutylammonium bromide–water binary system within the range of concentrated solutions, are presented in this communication. The (C</span><sub>4</sub>H<sub>9</sub>)<sub>4</sub>NBr·2<sup>1</sup>/<sub>3</sub>H<sub>2</sub><span>O compound is crystallized in the trigonal space group </span><span><em>R3c</em></span>, <em>a</em>=16.609(1) Å, <em>c</em><span>=38.853(2) Å. The structure is a packing of tetrabutylammonium cations and clusters composed of hydrogen-bonded water molecules and bromide anions. The change of water functions is discussed within one binary system tetrabutylammonium bromide–water. In the clathrate formation region water plays the role of the host, forming the water–anion host framework in clathrate polyhydrates, while in the region of concentrated solutions, in the case of (C</span><sub>4</sub>H<sub>9</sub>)<sub>4</sub>NBr·2<sup>1</sup>/<sub>3</sub>H<sub>2</sub>O compound, water functions as a guest, forming water-anion guest particle.</p></div>","PeriodicalId":100833,"journal":{"name":"Journal of Supramolecular Chemistry","volume":"2 4","pages":"Pages 435-439"},"PeriodicalIF":0.0,"publicationDate":"2002-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/S1472-7862(03)00054-6","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72112027","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2002-08-01DOI: 10.1016/S1472-7862(03)00067-4
Shin-ichi Nishikiori , Akiji Takahashi , Christopher I Ratcliffe , John A Ripmeester
Structure and dynamics in the Hofmann and Hoffmann-en type pyrrole clathrates, Cd(NH3)2Ni(CN)4·2C4H4NH and Cd(en)Ni(CN)4·2C4H4NH, have been studied by single crystal X-ray crystallography, solid state 2H NMR, PXRD, TGA and DSC. Both show in-plane reorientation of the pyrrole in an inequivalent six-site potential, with two low energy minima where the N of the pyrrole is oriented up or down with respect to the crystal c axis, followed by out-of-plane 4-fold motion about an axis parallel to the crystal c axis. There is also evidence for an intermediate dynamic state where there is 2-fold rather than 4-fold motion. The NH3 or en groups of the host frameworks rotate about the crystal c direction. The Hofmann-en pyrrole clathrate shows two phase transitions at 196 and 259 K, and the dynamics of the host en and pyrrole guest appear to be intimately linked to the latter structural transition. The results for these pyrrole clathrates have been compared with those for the two equivalent benzene clathrates, obtained previously and augmented with new 2H NMR lineshape data for Cd(en)Ni(CN)4·2C6D6 above 300 K.
{"title":"X-ray and 2H NMR studies of structure and dynamics in the Hofmann-type and the Hofmann-(en)-type pyrrole clathrates","authors":"Shin-ichi Nishikiori , Akiji Takahashi , Christopher I Ratcliffe , John A Ripmeester","doi":"10.1016/S1472-7862(03)00067-4","DOIUrl":"https://doi.org/10.1016/S1472-7862(03)00067-4","url":null,"abstract":"<div><p>Structure and dynamics in the Hofmann and Hoffmann-en type pyrrole clathrates, Cd(NH<sub>3</sub>)<sub>2</sub>Ni(CN)<sub>4</sub><strong>·</strong>2C<sub>4</sub>H<sub>4</sub>NH and Cd(en)Ni(CN)<sub>4</sub><strong>·</strong>2C<sub>4</sub>H<sub>4</sub>NH, have been studied by single crystal X-ray crystallography, solid state <sup>2</sup>H NMR, PXRD, TGA and DSC. Both show in-plane reorientation of the pyrrole in an inequivalent six-site potential, with two low energy minima where the N of the pyrrole is oriented up or down with respect to the crystal <em>c</em> axis, followed by out-of-plane 4-fold motion about an axis parallel to the crystal <em>c</em> axis. There is also evidence for an intermediate dynamic state where there is 2-fold rather than 4-fold motion. The NH<sub>3</sub><span> or en groups of the host frameworks rotate about the crystal </span><em>c</em> direction. The Hofmann-en pyrrole clathrate shows two phase transitions at 196 and 259 K, and the dynamics of the host en and pyrrole guest appear to be intimately linked to the latter structural transition. The results for these pyrrole clathrates have been compared with those for the two equivalent benzene clathrates, obtained previously and augmented with new <sup>2</sup>H NMR lineshape data for Cd(en)Ni(CN)<sub>4</sub><strong>·</strong>2C<sub>6</sub>D<sub>6</sub> above 300 K.</p></div>","PeriodicalId":100833,"journal":{"name":"Journal of Supramolecular Chemistry","volume":"2 4","pages":"Pages 483-496"},"PeriodicalIF":0.0,"publicationDate":"2002-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/S1472-7862(03)00067-4","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72112033","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2002-08-01DOI: 10.1016/S1472-7862(03)00068-6
J. Atwood, A. Szumna
{"title":"Cation–pi interactions in neutral calix[4]resorcinarenes","authors":"J. Atwood, A. Szumna","doi":"10.1016/S1472-7862(03)00068-6","DOIUrl":"https://doi.org/10.1016/S1472-7862(03)00068-6","url":null,"abstract":"","PeriodicalId":100833,"journal":{"name":"Journal of Supramolecular Chemistry","volume":"103 1","pages":"479-482"},"PeriodicalIF":0.0,"publicationDate":"2002-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87908225","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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