Volume 888; Issue 1-3

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Journal of Molecular Structure
Volume 888; Issue 1-3

Journal of Molecular Structure

Volume 888; Issue 1-3

1

CO…HC interactions as packing motifs in the crystals: Part 4. Intermolecular interactions in the structures of N-[(4-arylpiperazin-1-yl)-alkyl]2-azaspiro[4.4]nonane and [4.5]decane-1,3-dione derivatives

J. Karolak-Wojciechowska, A. Mrozek, A. Dzierżawska-Majewska, J. Obniska

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 631 KB

english, 2008

2

Vibrational spectra and theoretical calculations of [(trifluoromethyl)sulfonyl] phosphorimidic trichloride (CF3SO2NPCl3)

Ana G. Iriarte, Norma L. Robles, Edgardo H. Cutin, Carlos O. Della Védova

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 204 KB

english, 2008

3

Surface-enhanced Raman scattering and DFT computational studies of a benzotriazole derivative

Man-Yu Li, Qing Liao, Meng Zhang, Xi-Cheng Ai, Fu-You Li

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 349 KB

english, 2008

4

Inorganic–organic hybrid framework materials: Synthesis and characterization of [{Co(H2O)(L)}2V4O12] (L = pyridine, 4-methlypyridine)

M. Ishaque Khan, Elizabeth Yohannes, Robert J. Doedens, Vladimir O. Golub, Charles J. O’Connor

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 407 KB

english, 2008

5

Study of the interaction between esculetin and human serum albumin by multi-spectroscopic method and molecular modeling

Yuanyuan Yue, Yaheng Zhang, Jin Qin, Xingguo Chen

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 685 KB

english, 2008

6

Interaction models of three alkyl substituted cucurbit[6]urils with a hydrochloride salt of 4,4′-dipyridyl guest

Zhong-Cheng Tian, Xin-Long Ni, Xin Xiao, Feng Wu, Yun-Qian Zhang, Qian-Jiang Zhu, Sai-Feng Xue, Zhu Tao

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 963 KB

english, 2008

7

A comparative study of density functional calculations with experimental molecular mechanics and analysis of complexation between the sodium ion and lariat crown ethers

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 1.61 MB

english, 2008

8

Ligand effect on the growth reaction of copper(II) dicyanamide complexes: Syntheses, characterization and X-ray single crystal structure analyses of [CuL{N(CN)2}2]n and [CuL′{N(CN)2}2]2 [L = 2-(aminoethyl)pyridine and L′ = 2-(aminomethyl)pyridine]

Tanmay Chattopadhyay, Arpita Banerjee, Kazi Sabnam Banu, Nirmalya Podder, Madhuparna Mukherjee, Manami Ghosh, Eringathodi Suresh, Debasis Das

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 602 KB

english, 2008

9

Cocrystals of Kemp’s triacid. Part I: Molecular structure of 2:2 complex of 1,5,7-triazabicyclo[4.4.0]dec-5-ene with Kemp’s triacid

Adam Huczyński, Małgorzata Ratajczak-Sitarz, Andrzej Katrusiak, Bogumil Brzezinski

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 809 KB

english, 2008

10

Density functional and X-ray diffraction studies of two polymorphs of N,N′,N″-triphenylguanidine

P.S. Pereira Silva, C. Cardoso, M. Ramos Silva, J.A. Paixão, A. Matos Beja, F. Nogueira

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 254 KB

english, 2008

11

Two novel supramolecular organic–inorganic adducts containing dibenzo-30-crown-10 and H3PM12O40 (M = W or Mo)

Paula C.R. Soares-Santos, Luís Cunha-Silva, Filipa L. Sousa, Luís Mafra, João Rocha, Ana M.V. Cavaleiro, T. Trindade, Filipe A. Almeida Paz, Jacek Klinowski, Helena I.S. Nogueira

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 1.24 MB

english, 2008

12

Experimental and theoretical vibrational study of tetraaquatris(succinate)diholmium(III) hexahydrate, a bidimensional hybrid coordination polymer

M.C. Bernini, J.C. Garro, E.V. Brusau, G.E. Narda, E.L. Varetti

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 390 KB

english, 2008

13

Hydrothermal synthesis, crystal structures, and luminescent properties of two lanthanide (III) complexes containing 2-sulfoterephthalate

Hong-Ping Xiao, You-Xuan Zheng, Xiao-Qiang Liang, Jing-Lin Zuo, Xiao-Zeng You

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 1.21 MB

english, 2008

14

Analysis of weak interactions involving organic fluorine: Insights from packing features in substituted 4-keto-tetrahydroindoles

Deepak Chopra, K. Nagarajan, T.N. Guru Row

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 2.37 MB

english, 2008

15

Studies of the interaction between Sudan I and bovine serum albumin by spectroscopic methods

Ye-Zhong Zhang, Jie Dai, Xiao-Ping Zhang, Xi Yang, Yi Liu

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 360 KB

english, 2008

16

Synthesis, characterization, and crystal structure of [Cu{(3,5-Ph2Pz)2BH2}2]0: Evidence of a B–H–Cu agostic interaction

Tulio Chávez-Gil, David L. Cedeño, Christopher G. Hamaker, Maria Vega, Jessica Rodriguez

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 259 KB

english, 2008

17

Conformational stability of diastereomeric 8,8-dichloro-3,5-dioxa-4-thia-4-oxobicyclo[5.1.0]octanes: X-ray crystallography, dynamic 1H and 13C NMR spectroscopy study

V.V. Gavrilov, M.N. Shamsutdinov, O.N. Kataeva, V.V. Klochkov, I.A. Litvinov, Yu.G. Shtyrlin, E.N. Klimovitskii

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 323 KB

english, 2008

18

Structural characterization of analgesic isothiazolopyridines of Mannich base type; X-ray analysis of 2-[(4-phenylpiperazin-1-yl)ethyl]- and 2-[(4-methylpiperazin-1-yl)methyl]-4,6-dimethylisothiazolo[5,4-b]pyridin-3(2H)-ones

Zbigniew Karczmarzyk, Wiesław Malinka

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 312 KB

english, 2008

19

Guanidinium cyanurates versus guanidinium cyamelurates: Synthesis, spectroscopic investigation and structural characterization

Nadia E.A. El-Gamel, Jörg Wagler, Edwin Kroke

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 772 KB

english, 2008

20

Molecular interaction and energy transfer between human serum albumin and bioactive component Aloe dihydrocoumarin

Xiu-Feng Zhang, Ling Xie, Yang Liu, Jun-Feng Xiang, Lin Li, Ya-Lin Tang

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 329 KB

english, 2008

21

Synthesis and conformational analysis of phenyl-substituted 1,3,2-oxazaphosphino[4,3-a]- and 1,2,3-oxathiazino[4,3-a]isoquinolines

Ildikó Schuster, Andreas Koch, Matthias Heydenreich, Erich Kleinpeter, László Lázár, Ferenc Fülöp

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 967 KB

english, 2008

22

Structural, vibrational and theoretical studies of l-histidine bromide

A. Ben Ahmed, H. Feki, Y. Abid, H. Boughzala, A. Mlayah

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 556 KB

english, 2008

23

Bis(tyrammonium) sulfate dihydrate: Crystal structure, solid-state IR-spectroscopic and theoretical characterization

Bojidarka B. Koleva, Tsonko Kolev, Rüdiger W. Seidel, Michael Spiteller, Heike Mayer-Figge, William S. Sheldrick

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 765 KB

english, 2008

24

A solid-state 17O NMR, X-ray, and quantum chemical study of N-α-Fmoc-protected amino acids

Kazuhiko Yamada, Daisuke Hashizume, Tadashi Shimizu, Shinobu Ohki, Shigeyuki Yokoyama

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 761 KB

english, 2008

25

Second sphere coordination complex via hydrogen bonding: Synthesis, spectroscopic studies of [(C6H5)3RP][trans-Co(NH3)2(NO2)4] where R = benzyl, phenyl or ethyl and X-ray crystal structure of [(C6H5)4P][trans-Co(NH3)2(NO2)4]

Raj Pal Sharma, Ajnesh Singh, Paloth Venugopalan

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 382 KB

english, 2008

26

Polymorphism and symmetry non-equivalence in (3-carboxymethoxy-naphthalen-2-yloxy) acetic acid

Anirban Karmakar, Jubaraj B. Baruah

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 880 KB

english, 2008

27

Molecular structure of rubidium six-coordinated dihydrate complex with monensin A

Adam Huczyński, Małgorzata Ratajczak-Sitarz, Andrzej Katrusiak, Bogumil Brzezinski

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 695 KB

english, 2008

28

FTIR study of the structures of vapor deposited PMDA–ODA film in presence of copper phthalocyanine

Anton Georgiev, Ilyana Karamancheva, Dejan Dimov, Ivailo Zhivkov, Erinche Spassova

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 601 KB

english, 2008

29

Stereoregularity evolution of methyl acrylate and vinyl acetate copolymers by 2D NMR spectroscopy

A.S. Brar, Ashok Kumar Goyal, Anal Ganai, Sunita Hooda

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 760 KB

english, 2008

30

Synthesis, properties and crystal structure of a Zn,Nb compound with homo- and heterodinuclear oxalate-bridged units – [{Zn(bpy)2}2(μ-C2O4)][Zn(bpy)2(μ-C2O4)NbO(C2O4)2]2·0.5bpy·7H2O: The impact of weak interactions on the crystal packing

Marijana Jurić, Pavica Planinić, Nevenka Brničević, Dubravka Matković-Čalogović

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 717 KB

english, 2008

31

Second sphere coordination in anion binding: Synthesis, Characterization and X-ray structure of tris(1,10-phenanthroline)cobalt(III) periodate dihydrate, [Co(phen)3](IO4)3·2H2O

Raj Pal Sharma, Ajnesh Singh, Paula Brandão, Vitor Felix, Paloth Venugopalan

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 612 KB

english, 2008

32

Conformational analysis of 2-(1-adamantyl)-3-hydroxybutyric acid by 1H NMR spectroscopy and computational studies

Bishwajit Ganguly, Ajeet Singh, Nikola Basarić, Marija Matković, Kata Mlinarić-Majerski

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 254 KB

english, 2008

33

Matrix isolation investigation of the photochemical reaction of activator-substituted benzenes with CrCl2O2

Michael D. Hoops, Bruce S. Ault

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 357 KB

english, 2008

34

l-Lysine dioxalate

R.P. Sukiasyan, H.A. Karapetyan, A.M. Petrosyan

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 553 KB

english, 2008

35

High-pressure study of the Sr2CoWO6 ordered double perovskite tungstate oxide

B. Manoun, J.M. Igartua, M. Gateshki, S.K. Saxena

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 753 KB

english, 2008

36

A rare Cu(I)/Cu(II)-azide complex showing honeycomb-type net structure: Synthesis, structure, and magnetic studies

Yu-ting Yang, Feng Luo, Yun-xia Che, Ji-min Zheng

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 580 KB

english, 2008

37

One-pot synthesis, structure, theoretical study and vibrational spectroscopy of 5-amino-4-cyano-3H-1,2-dithiole-3-thione

Yanning Cao, Hanhui Zhang, Yiji Lin, Changcang Huang, Yiping Chen, Fengli Zhang, Jianshan Chen

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 648 KB

english, 2008

38

Two novel mono-organoimido functionalized polyoxometalate clusters: Convenient synthesis, crystal structure and bioactivity of [(n-C4H9)4N]2[Mo6O18(NAr)] (Ar = o-CF3C6H4, p-OCF3C6H4)

Sijia Xue, An Chai, Yongge Wei, Changsheng Xiang, Wangdong Bian, Jian Shen

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 561 KB

english, 2008

39

Unusual effect of bulky isopropyl group on robustness of the U-motif in pyrazolo[3,4-d]pyrimidine core based ‘Leonard linker’ compounds in comparison to methyl/ethyl group: A1H NMR and X-ray crystallographic study

Kamlakar Avasthi, Sangeeta Aswal, Sheikh M. Farooq, Resmi Raghunandan, Prakas R. Maulik

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 1.15 MB

english, 2008

40

Structure and luminescent property of novel 2D indium(III) and 1D cadmium(II) coordination polymers based on thiophene-2,5-dicarboxylic acid

Zhi Chen, Ya Zuo, Xiu-Hua Li, Hui Wang, Bin Zhao, Wei Shi, Peng Cheng

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 705 KB

english, 2008

41

Hydrogen bonding. Part 86: DFT molecular orbital study of the first hydration shell of N,N,N-trimethyl-1-adamantylammonium ion

Kenneth M. Harmon, Lydia S. Nowos

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 336 KB

english, 2008

42

An organic–inorganic hybrid compound constructed by Strandberg-type polyoxoanions and transition metal coordination complexes

Ruige Cao, Shuxia Liu, Jianfang Cao, Liang Wang, Qun Tang, Ying Liu, Yuanhang Ren

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 790 KB

english, 2008

43

Synthesis, characterization and crystal structures of three dinuclear diperoxo complexes of Mo(VI): K2{O[MoO(O2)2H2O]2}·2H2O, (C6H8N,NH4){O[MoO(O2)2H2O]2} and (C6H8N,Na){O[MoO(O2)2H2O]2}

M. Grzywa, W. Nitek, W. Łasocha

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 526 KB

english, 2008

44

A zinc/p-sulfonatocalix[4]arene/phenanthroline supramolecular compound with novel (H2O)10 water clusters

Ce Liu, Fang Luo, Yanfeng Bi, Wuping Liao, Hongjie Zhang

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 958 KB

english, 2008

45

Syntheses, crystal structures and electrochemical properties of two new supramolecular compounds based on hexamolybdates and crown ethers

Dawei Song, Wansheng You, Yi Zhao, Tianhui Hu, Qihua Du, Xuefang Zheng

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 1.25 MB

english, 2008

46

The effect of glucosyl-β-cyclodextrin on the hydrogen–deuterium exchange rate constant of the peptide bonds of chicken egg white lysozyme in a D2O solution

Keisuke Yoshikiyo, Masatoshi Sugimoto, Yuji Aso, Tetsuya Takahashi, Yoshihisa Matsui, Tatsuyuki Yamamoto

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 169 KB

english, 2008

47

Room temperature structures and odd–even behaviour of a homologous series of anhydrous lithium n-alkanoates

Nicole A.S. White, Henry A. Ellis

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 521 KB

english, 2008

48

Synthesis, spectroscopic and structural investigation of two nickel(II) thiocyanate complexes with isonicotinic acid

Marijana Đaković, Zora Popović, Neven Smrečki-Lolić

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 487 KB

english, 2008

49

Metal complexes of antiuralethic drug: Synthesis, spectroscopic characterization and thermal study on allopurinol complexes

M.G. Abd El-Wahed, M.S. Refat, S.M. El-Megharbel

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 817 KB

english, 2008

50

Influence of magnetic field on physical–chemical properties of the liquid water: Insights from experimental and theoretical models

Evelyn J.L. Toledo, Teodorico C. Ramalho, Zuy M. Magriotis

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 376 KB

english, 2008

51

MP2, MP3 and MP4 versus DFT-B3LYP energies and vibrational assignments of near-planar carbamoyl azide and ketene

Hassan M. Badawi

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 231 KB

english, 2008

52

Reactions and structural investigation of chlorpromazine radical cation

Ravi Joshi, Tapan K. Ghanty, T. Mukherjee

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 1.02 MB

english, 2008

53

Gordon F. Kirkbright Bursary Award, 2009

Journal:

Journal of Molecular Structure

Année:

2008

Fichier:

PDF, 132 KB

2008

54

The structure and magnetic properties of a 3D pillared-layer polymer and two helical chains constructed from flexible ligands

Long Tang, Dongsheng Li, Feng Fu, Yapan Wu, Yaoyu Wang, Huaiming Hu, Enbo Wang

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 1.44 MB

english, 2008

55

3-D supramolecular architectures in the three new complexes constructed from mixed ligands: Syntheses, crystal structures, spectroscopic properties, XRPD and thermal study

Guo-Ping Yang, Yao-Yu Wang, Hong Wang, Cui-Juan Wang, Gui-Lin Wen, Qi-Zhen Shi, Shie-Ming Peng

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 1.81 MB

english, 2008

56

Editorial board

Journal:

Journal of Molecular Structure

Année:

2008

Langue:

english

Fichier:

PDF, 1.41 MB

english, 2008