prelims, contents pages

Contents

Poulami Pattanayak, Sankar Prasad Parua,Debprasad Patra, Jahar Lal Pratihar,Paula Brandão, Vitor Felix andSurajit Chattopadhyay

Polyhedron 70 (2014) 1

Synthesis, characterizations and structure oforthometallated Pt(II) and Pt(IV) complexes:Oxidative addition to C,N,N,O coordinated Pt(II)complexes

Newly prepared orthometallated complexesof Pt(II) underwent facile oxidative additionwithout breakage of Pt–C bond. The strategyis fascinating in terms of the synthesis oforthoplatinated Pt(IV) complex.

NNN

OPt

NNN

OPt

I

I

Mohammad Hayatifar, Fabio Marchetti,Guido Pampaloni and Stefano Zacchini


Reactions of TaF5 with activated arenes. Synth-esis of [4-(OH)-3-(OCH3)C6H3CH(@O•H)][4-(OH)-3-(OCH3)C6H3CHO][TaF6], a rare exampleof protonated aldehyde

The protonated aldehyde salt [4-(OH)-3-(OCH3)C6H3CH(@O•H)][4-(OH)-3-(OCH3)C6H3CHO][TaF6] was isolated in the solidstate by the reaction of vanillin withTaF5 in dichloromethane and structurallycharacterized.

TaF5

CHO

MeO

HO

[TaF6]

MeO

HO CHO

HO

CH

OMe

OHCH2Cl2, r.t.

Prateeti Chakraborty, Sandip Mondal,Sudhanshu Das, Atish Dipankar Jana andDebasis Das


Dicyanamide mediated construction of 1D poly-meric networks of quinoxaline with d10 metalions: Synthesis, thermogravimetric analysis,photoluminescence and a theoretical investiga-tion on the p� � �p interactions

The interaction of quinoxaline withM(OAc)2 [where M = Zn(II), Cd(II) andHg(II)] in the presence of the spacerdicyanamide generates one-dimensionalcoordination polymers. Although the metalions have no influence in making thestructural motifs, they play a crucial rolein controlling the luminescence propertiesof the complexes.

350 400 450 500 550 600

50

100

150

200

2

3

Em

issi

on in

tens

ity (

a.u)

Wavelength (nm)

1

Fluorescence efficiency order : Zn(II)> Cd(II) > Hg(II)

M(OAc)2 ,NaN(CN)2

M= Zn(II), Cd(II), Hg(II)

N

N

Elsevier Ltd.

Polyhedron 70, 9 March 2014

Contents lists available at ScienceDirect

Polyhedron

journal homepage: www.elsevier .com/locate /poly

Mauricio Cattaneo, Mónica M. Vergara,Mónica E. García Posse,Florencia Fagalde, Teodor Parella andNéstor E. Katz


Spectroscopic, electrochemical and computa-tional studies of rhenium(I) and ruthenium(II)complexes incorporating the novel tetradentateligand 1,4-bis(4-(4¢-methyl)-2,2¢-bipyridyl)-2,3-diaza-1,3-butadiene (BBDB) and its deriva-tives

A new bridging ligand, 1,4-bis(4-(4¢-methyl)-2,2¢-bipyridyl)-2,3-diaza-1,3-buta-diene (BBDB), and novel complexes ofrhenium tricarbonyls, ruthenium polypyr-idines and ruthenium ammines containingBBDB and its hydrolysis derivatives havebeen synthetized and characterized byspectroscopic, electrochemical and compu-tational techniques.

Lauren R. Holloway, Andrew J. Clough,Jessica Y. Li, Emily L. Tao, Fu-Ming Taoand Lijuan Li


A combined experimental and theoretical studyof dinitrosyl iron complexes containing chelat-ing bis(diphenyl)phosphinoX (X = benzene,propane and ethylene): X-ray crystal structuresand properties influenced by the presence orabsence of p-bonds in chelating ligands

Dinitrosyl iron complexes with formula[(DPPX)Fe(NO)2], {DPPX = 1,2-bis(diphe-nylphosphino)benzene (1), 1,3-bis(diphe-nylphosphino)propane (2), and cis-1,2-bis(diphenylphosphino)ethylene (3)} havebeen prepared and characterized by FT-IR,NMR, UV–Vis, X-ray crystallography, elec-trochemical techniques, and DFT calcula-tions. The presence of p-bonds between thetwo phosphorus atoms lowered theHOMO–LUMO gap and caused charge de-localization upon oxidation.

S.M. Shakil Hussain, Mansur B. Ibrahim,Atif Fazal, Rami Suleiman,Mohammed Fettouhi and Bassam El Ali


Palladium–bis(oxazoline) complexes withinherent chirality: Synthesis, crystal structuresand applications in Suzuki, Heck andSonogashira coupling reactions

New palladium–bis(oxazoline) (Pd–BOX)complexes were synthesized and charac-terized. The coordination to the palladiumion allows the non C2-symmetric bis(ox-azoline) ligand-based palladium complexesto acquire a rigid backbone curvaturegenerating an inherent chirality. The cata-lytic activities were evaluated in Suzuki–Miyaura, Mizoroki–Heck and Sonogashiracoupling reactions.

Pd

PhO

O

N N

O

MeMe

MeMeCl Cl

H2N I + OMe

OPd-BOX A

K2CO3, DMF70 oC, 12 h H2N

CO2Me

94 %

Yu-Hui Tan, Yin-Mei Yu, Jian-Bo Xiong,Ji-Xing Gao, Qing Xu, Chao-wu Fu,Yun-Zhi Tang and He-Rui Wen


Synthesis, structure and ferroelectric–dielectricproperties of an acentric 2D framework withimidazole-containing tripodal ligands

Compound 1 has a two-dimensional hon-eycomb networks with (6, 3) topology,exhibits a typical ferroelectric with electrichysteresis loops.

vContents

Z. Puterová-Tokárová, V. Mrázová,J. Kozíšek, J. Valentová, B. Vranovicováand R. Boca


Magnetostructural correlation in tetracopper(II)cubanes

Tetranuclear copper(II) complex withSchiff base ligand possessing the cubane-like structure with {Cu4O4} core beenstudied by means of X-ray crystallographyand magnetometry. The magnetic dataconfirm that both, the antiferromagneticand ferromagnetic exchange coupling ap-ply according to two coupling constants.The overall exchange coupling is of anantiferromagnetic nature.

T/K0 50 100 150 200 250 300

χ mol/(1

0−6 m

3 mol

−1)

0.00

0.05

0.10

0.15

Svetlana G. Kozlova, Maxim R. Ryzhikov,Vladimir A. Slepkov andSvyatoslav P. Gabuda


Spin–orbit coupling and d2–d2 interactions indinuclear bioctahedral metal clusters

How spin–orbit interaction, magneticproperties and meta–meta distance areinterrelated in bioctahedral face-sharedcluster complex [M2X9]3) (M = V, Nb, Ta,and X = Cl, Br, I).

Jian-Bao Li, Rong Wang, Min Liu,Man-Hua Wu, Qiong-Hua Jin,Zhong-Feng Li, Han-Qin Tang,Jin-Zhao Xiang, Mei-Song Guo andGe Song


Synthesis and structural characterization ofseven copper(I) complexes with 3-amino-5,6-dimethyl-1,2,4-triazine and triphenylpho-sphine/triphenylarsine

Seven copper(I) complexes have beensynthesized by the reactions of CuX(X = Cl, Br, I, SCN) with EPh3 (E = P for1–4; E = As for 5–7) and 3-amino-5,6-dimethyl -1,2,4-triazine in mixed solvent.Complexes 1–7 have been characterized byIR, NMR, luminescence, elemental analysesand X-ray diffraction.

Nicolay N. Golovnev, Maxim S. Molokeev,Sergey N. Vereshchagin,Victor V. Atuchin, Maxim Y. Sidorenkoand Michael S. Dmitrushkov


Crystal structure and properties of the precur-sor [Ni(H2O)6](HTBA)2Æ2H2O and the complexesM(HTBA)2(H2O)2 (M = Ni, Co, Fe)

Four new compounds, the discrete complex[Ni(H2O)6](HTBA)2Æ2H2O (1) and three co-ordination polymers M(H2O)2(HTBA-O,S)2,M = Ni (2), Co (3) and Fe (4), weresynthesized and structurally characterized.Blue single crystals of 1 precipitate insolution at 5–20 �C as a precursor to 2then quickly decompose into the yellowpowder Ni(H2O)2(HTBA)2 (2).

vi Contents

José S. Casas, María S. García-Tasende,Agustín Sánchez,Ángeles Sánchez-González,José Sordo, Ángeles Touceda andMargarita Vázquez-González


Synthesis, characterization and in vitro toxicityassessment of DMPS-capped CdTe quantumdots

Water-soluble CdTe quantum dots cappedwith 2,3-bis(sulfanyl)propane-1-sulfonatehave been prepared and their potentialuse as a heavy metal fluorescent probe wasexplored. The work also includes a pre-liminary analysis of the new QDs cytotoxi-city on HeLa and LLC-PK1 cells.

Mohsen Ouled Mohamed Sghaier,Krystyna Holderna-Natkaniec,Aneta Wozniak-Braszak, Piotr Czarneckiand Slaheddine Chaabouni


Structure and internal dynamics of N,N-diethy-lethylendiammonium pentachloroantimonia-te(III)–N,N-diethylethylendiammoniumdichloride

Layered crystal structure of N,N-diethy-lethylendiammonium pentachloroantimo-niate(III)–N,N-diethylethylendiammoniumdichloride.Calculated temperature dependence of thecorrelation times of: C3 fold reorientationof two methyl groups from subunit A (redline a) as well as from subunit B (blue linec), the C3 fold reorientation of the ammoniagroup from subunit B (dashed blue, line d),the [C6H18N2] cation reorientation aroundthe pseudo C3 fold symmetry axis fromsubunit A (dashed red, line b) and subunitB (point blue, line e) of the studied sample.

Mohammad Hakimi, Keyvan Moeini,Zahra Mardani and Fabian Mohr


Microwave-assisted template synthesis ofdiazacyclam-based macrocyclic copper complexand forming octahedral, square planar andsquare pyramidal geometries by ion exchangingand introducing a novel 2D square-gridcopper–mercury coordination polymer

The copper complex of 1,3,6,10,12,15-hexaaza-tricyclo[13.3.1.16,10]eicosane (L), [CuL(NO3)2],was synthesized in reaction between copper(II)nitrate with N-(2-aminoethyl)-1,3-diaminopro-pane and formaldehyde under microwavecondition. The product then was treated withKBr, KI and HgCl2 to give [CuL]Br2, [CuLI][CuLI]¢I2ÆH2O complexes and novel coordinationpolymer, {[CuL(NO3)]2[Hg5(l-Cl)8(l3-Cl)2]Cl2}n,respectively. The complexes are characterizedby FT-IR, Raman and UV–Vis spectroscopies,cyclic voltammetry and X-ray crystallography.Photoluminescent property of [CuL(NO3)2] wasalso investigated.

Edmond Y. Njua, Mathew E. Otang andLothar Stahl


Group 1 cyclopentadienide/group 1,14-tert-but-oxide adducts: Ion exchange and coordinationpolymer formation

MCp (M = Na, K, Cp = C5H5) form non-identical coordination polymers with tern-ary tert-butoxides of the type MEl(OtBu)3,El = Ge(II), Sn(II). KCp maintains it chainstructure, decorated with K(THF)2Sn(OtBu)3 units, but the linear NaCp chainbecomes intercalated with the ternary tert-butoxide salts and forms zigzag chains. Thesalts NaGe(OtBu)3 and KCp undergo cationexchange prior to adduct formation.

viiContents

Adrian I. Borhan, Vasile Hulea,Alexandra R. Iordan andMircea N. Palamaru


Cr3+ and Al3+ co-substituted zinc ferrite:Structural analysis, magnetic and electricalproperties

In this contribution we attempt to trace acorrelation between structural featuresand physical properties of Cr–Al co-sub-stituted zinc ferrite. Trivalent cations sub-titution in the B sublattice weaken bothA–B and B–B interactions simultaneouslyand hence the collinear ferrimagneticstructure not be so strongly affected.According to literature, the mechanism bywhich a third metal changes the propertiesof these complex systems is still a matter ofcontrovers.

Nives Kitanovski, Nataša Borsan,Marta Kasunic, Vojmir Francetic,Jasminka Popovic, Igor Djerdj,Xavier Rocquefelte, Jan Reedijk andBojan Kozlevcar


Chromium coordination compounds withbis(3,5-dimethylpyrazol-1-yl)acetic acid or itsanion

Two new chromium(III) compounds with aneutral ligand bis(3,5-dimethylpyrazol-1-yl)acetic acid or its anionic form (HL/L)),namely [Cr(L)2](H(NO3)2) and [Cr(HL)Cl3]are presented. Both reveal a mononuclearoctahedral coordination motif, but thecatalytic expectations differ significantly.The neutral compound by one tridentateHL per one Cr(III) and labile chlorideligands is clearly more promising than theionic compound with two L) fully sur-rounding the coordination sphere.

Joseph S. Merola and Folami T. Ladipo


Alkyne reactions with trimethylphosphinecomplexes of iridium: Lessons for the catalysisof vinyl ester formation and alkynedimerization

A system with phenylacetylene and ben-zoic acid with an iridium catalyst producesproducts from addition of phenylacetyleneto phenylacetylene, benzoic acid tophenylacetylene and benzoic acid to thephenylacetylene/phenylacetylene product.The compounds whose structures areshown were metal complexes isolatedfrom this reaction system.

Ludger A. Wessjohann andMarco A. Dessoy


An efficient method for the preparation ofsilyl esters of diphosphoric, phosphoric, andphosphorous acid

Trialkylsilylesters of diphosphate, phos-phate, and phosphite are accessible in bulkin quantitative yield by a new triphasicreaction system. Partial/full hydrolysis ofthe Si–(OP) bonds is possible withoutaffecting the P–O–P bonds. The distributionof partially hydrolyzed esters depends,among other factors, on the silyl migrationaptitude.

viii Contents

Rati Agrawal, Varsha Goyal,Raakhi Gupta, Raghavaiah Pallepogu,Ramesh Kotikalapudi, Peter G. Jones andRaj K. Bansal


Organotin(IV) complexes with imidazo[1,2-a]pyridines

The three-components reaction of di-methyltin dibromide with imidazo[1,2-a]pyridine and allyl bromide in ethanolaffords the ionic complex bis(1-allylimida-zo[1,2-a]pyridinium) dimethyltetrabro-mostannate(II). An X-ray crystal structureanalysis of the complex reveals the tinatom to be hexacoordinated, forming adianion. Organotin(IV) halides on reactingwith imidazo[1,2-a]pyridines yield 1:2complexes having imidazo[1,2-a]pyridinesmolecules coordinated to the tin atomthrough N1.

Tanya K. Todorova, Frederic Poineau,Paul M. Forster, Laura Gagliardi,Kenneth R. Czerwinski andAlfred P. Sattelberger


Molecular and electronic structure ofTc2(O2CCH3)2Cl4 studied by multiconfigura-tional quantum chemical methods

The molecular and electronic structure, aswell as the electronic absorption spectrumof Tc2(O2CCH3)2Cl4 were studied by multi-configurational quantum chemical meth-ods. The computed ground state geometryis in excellent agreement with the experi-mental structure determined by singlecrystal X-ray diffraction. The lowest energyband corresponds to the d fi d* transition.

Sule Sahin Ün


Cyclotriphosphazenes having stereogenicphosphorus atoms: Synthesis, characterizationand their stereogenic properties

Cyclotriphosphazene derivatives with twoequivalent stereogenic centres and an un-symmetrical phosphorus atom weresynthesized and characterized. In additiontheir stereogenic properties were investi-gated by X-ray crystallography and CSAadded 31P NMR spectroscopy.

Three diastereoisomers

(4) (5) (6)

Ritwik Modak, Yeasin Sikdar,Senjuti Mandal, Carlos J. Gómez-García,Samia Benmansour, Sudipta Chatterjeeand Sanchita Goswami


Homo and heterometallic rhomb-like Ni4 andMn2Ni2 complexesTwo new polynuclear complexes with hydroxyl-richSchiff base ligand 3-[(2-Hydroxy-benzylidene)-ami-no]-propane-1,2-diol (H3L), namely [NiII

2(HL)(H2L)(SCN)]2ÆDMF (1) and [MnIII

2NiII2(HL)2(L)2] (2) have

been synthesized and characterized by single crystalX-ray diffraction, elemental analyses, FTIR, UV–Visspectroscopy and variable temperature magnetic

susceptibility measurements. The X-ray refinementsreveal that both compounds present defectiverhomb-like dicubane central cores (Ni4 in 1 andMn2Ni2 in 2). Magnetic susceptibility measurementsindicate the presence of overall antiferromagneticexchange interactions in 1 along the side connectedby a N and O atoms (J1 = )43.6 cm)1) and along theshort diagonal of the rhomb (J3 = )3.9 cm)1) and aweak ferromagnetic coupling (J2 = +5.8 cm)1) alongthe side of the rhomb connected by a double O-bridge. In 2 the three exchange interactions arenegative (J1 = J2 = )0.3 cm)1 and J3 = )0.7 cm)1). Amagneto-structural correlation with the ratio be-tween the Ni–O–Mn bond angle and the Mn–O bondlength is also discussed for double O-bridged Mn–Nipairs.

ixContents

Jan Janczak


Synthesis, characterisation and DFT calculationsof the magnesium phthalocyanine complexeswith n-butanol and n-pentanol

Two pentacoordinated complexes of mag-nesium phthalocyanine (MgPc) with n-butanol and n-pentanol, (MgPc(C4H9OH)and MgPc(C5H11OH)), in the crystallineform were obtained. Ligation of the MgPcby n-alcohols does not change the colour-ing properties compared to the parentMgPc pigment. Due to the steric hindranceof the axial ligand, the crystals ofMgPc(C4H9OH) and MgPc(C5H11OH) areabout three times more soluble than theparent MgPc.

I.I. Ozturk, O.S. Urgut, C.N. Banti,N. Kourkoumelis, A.M. Owczarzak,M. Kubicki and S.K. Hadjikakou


Synthesis, structural characterization and cyto-static properties of N,N-dicyclohexyldithiooxa-mide complexes of antimony(III) halides(SbX3, X: Br or I)

Two new polymeric complexes of formula{[SbX3(HDTOA)1.5]}n (X = Br, I) weresynthesized and characterized. The in vitrocytotoxic activity against MCF-7 and HeLacell lines were evaluated. Correlation of theexperimental ID50 values with six para-meters is performed by PLS regressionanalysis, indicating that the type of theligand is crucial for the cytotoxicity of thistype of complexes against MCF-7 cells.

Peng Du, Yan Yang, Ying-Ying Liu,Yuan-Chun He, Hong-Mei Zhang andJian-Fang Ma


Four metal–organic frameworks built fromdistinct secondary building blocks: Syntheses,structures, photoluminescence and photocata-lytical properties

Four metal–organic frameworks based on aflexible acid have been synthesized. Thephotocatalytical properties of compounds1 and 2 and photoluminescent behaviors of3 and 4 have been investigated.

M. Srinidhi Raghavan, Piyush Jaiswal,Nalini G. Sundaram andS.A. Shivashankar


A composition-dependent ‘‘re-entrant’’ crystal-lographic phase transition in the substitutionalmetal acetylacetonate complex (Cr1)xGax)(acac)3

It is found that the metalorganic complexsolid solution (Cr1)xGax)(acac)3, 0 < x < 1.0(acac = acetylacetone) undergoes a crystal-lographic transition from cetrosymmetricto non-centrosymmetric and back to cen-trosymmetric structure as x is varied from0 to 1.0. Non-centrosymmetry, and theattendant doubling of the unit cell, is theresponse to disorder present in the carbonatoms of the ligand in the Cr-rich composi-tions.

x Contents

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xi Contents

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