scholarly journals Synthesis of Cationic Pd(II) Complexes with 5-Membered Ring Chelating Iminoylcarbene Ligand and Its Catalytic Activity on Norbornene Polymerization

2019 ◽  
Vol 31 (3) ◽  
pp. 637-641
Author(s):  
Roushown Ali ◽  
Jubaraj Chandra ◽  
Tariqul Hasan
Keyword(s):  
Catalytic Activity ◽  
Nmr Spectra ◽  
Membered Ring ◽  
Moderate Activity ◽  
13C Nmr Spectra ◽  
X Ray Diffraction ◽  
1H And 13C Nmr ◽  
X Ray ◽  
Addition Polymerization ◽  
Norbornene Polymerization

Iminoyl N-heterocyclic carbine ligand with cationic allyl Pd(II) complex (3) was successfully synthesized by transmetallation of corresponding Ag complex with one equivalent of [Pd(allyl)(COD)]+SbF6–. A slightly distorted square planer structure of the Pd(II) complex 3 was confirmed by single crystal X-ray diffraction analysis. The Pd(II) complex 3 is stable in air and found to show moderate activity in the polymerization of norbornene without any activator. The polynorbornene produced with Pd(II) complex 3 was obtained to be stable up to 440 °C. The 1H and 13C NMR spectra of the polymer indicated addition polymerization of norbornene and the presence of the vinylene group at the end of polymer chain.

scholarly journals A Comparative Theoretical and Spectroscopic Study of Aminomethylbenzoic Acid Derivatives as Potential NLO Candidates

2020 ◽  
Vol 3 (1) ◽  
pp. 102
Author(s):  
Amani Direm ◽  
Koray Sayın
Keyword(s):  
Nmr Spectra ◽  
Close Agreement ◽  
Molecular Electrostatic Potential ◽  
Structural Parameters ◽  
13C Nmr Spectra ◽  
X Ray Diffraction ◽  
1H And 13C Nmr ◽  
X Ray ◽  
Non Covalent Interactions ◽  
Covalent Interactions

Three aminomethylbenzoic acid derivatives were theoretically studied at M062X/6-311++G(d,p) level in a vacuum, namely 2-ammonio-5-methylcarboxybenzene perchlorate (1), 4-(ammoniomethyl) carboxybenzene nitrate (2) and 4-(ammoniomethyl)carboxybenze perchlorate (3). The compounds’ structures were fully optimized and compared with the single-crystal X-ray diffraction results, showing a very close agreement with the experimental structural parameters. Their IR, 1H- and 13C-NMR spectra were calculated and examined in detail. Furthermore, the molecular electrostatic potential (MEP) maps of the studied compounds were investigated and the strength of the non-covalent interactions evaluated. In addition to these results, the NLO properties of the three compounds were predicted.

Synthesis, Characterization, and Catalytic Activity of a Series of Aluminium–Amidate Complexes

2015 ◽  
Vol 68 (3) ◽  
pp. 357 ◽  
Author(s):  
Kevin P. Yeagle ◽  
Darryl Hester ◽  
Nicholas A. Piro ◽  
William G. Dougherty ◽  
W. Scott Kassel ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Nmr Spectroscopy ◽  
Diffraction Analysis ◽  
13C Nmr ◽  
13C Nmr Spectroscopy ◽  
X Ray Diffraction ◽  
Metathesis Reaction ◽  
Chloride Complexes ◽  
1H And 13C Nmr ◽  
X Ray

The aluminium complexes {[κ2-N,O-(t-BuNCOPh)]AlMe2}2 (2), [κ2-N,O-(t-BuNCOPh)]2AlMe (3), and [κ2-N,O-(t-BuNCOPh)]3Al (4) were prepared through the protonolysis reaction between trimethylaluminium and one, two, or three equivalents, respectively, of N-tert-butylbenzamide. Complex 2 was also prepared via a salt metathesis reaction between K(t-BuNCOPh) and dimethylaluminium chloride. Complexes 2–4 were characterized using 1H and 13C NMR spectroscopy. Single-crystal X-ray diffraction analysis of the complexes corroborated ligand : metal stoichiometries and revealed that all the amidate ligands coordinate to the aluminium ion in a κ2 fashion. The Al–amidate complexes 2–4 were viable catalyst precursors for the Meerwein–Ponndorf–Verley–Oppenauer reduction–oxidation manifold, successfully interconverting several classes of carbonyl and alcohol substrates.

scholarly journals Synthesis, Structures, and Antibacterial Activities of Hydrazone Compounds Derived from 4-Dimethylaminobenzohydrazide

2021 ◽  
Vol 68 (3) ◽  
pp. 567-574
Author(s):  
Guo-Xu He ◽  
Ling-Wei Xue
Keyword(s):  
Escherichia Coli ◽  
Staphylococcus Aureus ◽  
Nmr Spectra ◽  
Antibacterial Activities ◽  
13C Nmr Spectra ◽  
X Ray Diffraction ◽  
X Ray ◽  
Mtt Method ◽  
Antibacterial Material ◽  
And Staphylococcus Aureus

A series of three new hydrazone compounds derived from the condensation reactions of 4-dimethylaminobenzohydrazide with 4-dimethylaminobenzaldehyde, 2-chloro-5-nitrobenzaldehyde and 3-methoxybenzaldehyde, respectively, were prepared. The compounds were characterized by elemental analysis, infrared and UV-vis spectra, HRMS, 1H NMR and 13C NMR spectra, and single crystal X-ray diffraction. Crystals of the compounds are stabilized by hydrogen bonds. The compounds were assayed for antibacterial (Bacillus subtilis, Escherichia coli, Pseudomonas fluorescence and Staphylococcus aureus) and antifungal (Aspergillus niger and Candida albicans) activities by MTT method. The results indicated that compound 2 is an effective antibacterial material.

scholarly journals SYNTHESIS AND STRUCTURE OF TWO PALLADIUM(II) COMPLEXES BEARING ACETONITRILE AND N-HETEROCYCLIC CARBENE DERIVED FROM IMIDAZOLE

2019 ◽  
Vol 57 (4) ◽  
pp. 468
Author(s):  
Mai Thi Cam Truong ◽  
Chi Thi Thanh Nguyen
Keyword(s):  
Single Crystal ◽  
Diffraction Study ◽  
13C Nmr ◽  
Nmr Spectra ◽  
High Yield ◽  
13C Nmr Spectra ◽  
Trans Position ◽  
X Ray Diffraction ◽  
Imidazolium Chloride ◽  
X Ray

The reaction of [PdCl2(CH3CN)2] (1) with either 1,3-bis(2,4,6-trimethylphenyl)imidazolium chloride (IMes·HCl) or 1,3-bis(2,6-diisoproylphenyl)imidazolium chloride (IPr·HCl) in the present of Ag2O afforded two mixed monocarbene-CH3CN complexes, namely trans-[PdCl2(CH3CN)(IMes] (2) and trans-[PdCl2(CH3CN)(IPr)] (3), with the high yield (85-90%). The structure of 2 and 3 were elucidated by ESI mass, IR, 1H NMR and 13C NMR spectra. For 2, single-crystal X-ray diffraction study was also carried out. The results show that the CH3CN in 2 and 3 coordinates with Pd(II) via the N atom, the deprotonated imidazolium salts are bound up with Pd(II) via the C atom (NCHN) and occupy trans-position in comparison with the CH3CN.

Mercury(II) complexes of new bidentate phosphorus ylides: synthesis, spectra and crystal structures

2014 ◽  
Vol 68 (5) ◽  
Author(s):  
Seyyed Sabounchei ◽  
Mohammad Panahimehr ◽  
Hamid Khavasi ◽  
Fateme Bagherjeri ◽  
Collete Boscovic
Keyword(s):  
Single Crystal ◽  
Nmr Spectra ◽  
Mononuclear Complex ◽  
13C Nmr Spectra ◽  
Phosphonium Salts ◽  
X Ray Diffraction ◽  
Phosphorus Ylides ◽  
X Ray ◽  
Mononuclear Complexes ◽  
Tetrahedral Environment

AbstractThe reaction of dppm (1,1-bis(diphenylphosphino)methane) with 2-bromo-4-phenylacetophenone and benzyl bromoacetate in chloroform produces new phosphonium salts, [Ph2PCH2PPh2CH2C(O) C6H4Ph]Br (I) and [Ph2PCH2PPh2CH2COOCH2Ph]Br (II). By allowing the phosphonium salts to react with the appropriate base, the bidentate phosphorus ylides, Ph2PCH2PPh2=C(H)C(O)C6H4Ph (III) and Ph2PCH2PPh2=C(H)C(O)OCH2Ph (IV), were obtained. The reaction of these ligands with mercury(II) halides in dry methanol led to the formation of the mononuclear complexes {HgX2[(Ph2PCH2PPh2C(H)C(O)C6H4Ph)]} (X = Cl (V); X = Br (VI); X = I (VII)) and {HgX2[(Ph2PCH2PPh2C(H)COOCH2Ph)]} (X = Cl (VIII); X = Br (IX); X = I (X)). The FTIR and 1H, 31P and 13C NMR spectra were studied. The structure of compound III was unequivocally determined by the single-crystal X-ray diffraction technique. Single-crystal X-ray analysis of the {HgBr2[(Ph2PCH2PPh2C(H)C(O)C6H4Me)]} complex (XI) revealed the presence of a mononuclear complex containing the Hg atom in a distorted tetrahedral environment. In all complexes, the ylides referred to above were coordinated through the ylidic carbon and the phosphine atom.

Synthesis and characterization of N-silylated, C1-symmetric benzamidinates of lithium, sodium, and tin(II)

2006 ◽  
Vol 84 (2) ◽  
pp. 269-276 ◽  
Author(s):  
Floria Antolini ◽  
Peter B Hitchcock ◽  
Alexei V Khvostov ◽  
Michael F Lappert
Keyword(s):  
Nmr Spectra ◽  
Alkali Metals ◽  
Membered Ring ◽  
Molecular Structures ◽  
Synthesis And Characterization ◽  
Neutral Ligand ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ligand Free

The synthesis and characterization of complexes obtained from the reactions between Li[N-t-Bu(SiMe3)] (A) or the sodium analogue Na[N-t-Bu(SiMe3)] (B) and the cyanoarene RCN (R = Ph or 4-MeOC6H4) are discussed. These are the THF adduct [Li{µ-cis-N(t-Bu)C(Ph)N(SiMe3)}(THF)]2 (1), the TMEDA adduct Li[N(t-Bu)C(Ph)N(SiMe3)](TMEDA) (2), the neutral ligand-free lithium benzamidinate Li[N(t-Bu)C(C6H4OMe-4)N(SiMe3)] (3), and the THF adduct Li[N(t-Bu)C(C6H4OMe-4)N(SiMe3)](THF) (3a). The preparation and structure of the crystalline compound [Na{µ-cis-N(t-Bu)C(Ph)N(SiMe3)}(OEt2)]2 (4) is described. From the lithium benzamidinate 1 and Sn(II) chloride the tin(II) complex [Sn{N(t-Bu)C(Ph)N(SiMe3)}2] (5) was obtained. The molecular structures of the crystalline compounds 1, 4, and 5 were established by X-ray diffraction. In 1 and 4 the benzamidinato ligand is both chelating and bridging, with the Me3Si-substituted nitrogen atom as the bridging site. The central planar (MN)2 four-membered ring is a rhombus in 1, with almost equal Li—N bond lengths, whereas in 4 the bonds to Na(1) are significantly longer than those to Na(2). In 5, the ligand is N,N′-chelating. Key words: alkali metals, tin(II), benzamidinates, NMR spectra, X-ray structures.

scholarly journals Zur Struktur von (Pyrazolinonyl)-(hydroxypyrazolylium)methanperchloraten NMR-, IR-spektroskopische Studien und Kristallstruktur / The Structure of (Pyrazohnonyl)-(hydroxypyrazolyhum)methaneperchlorates NMR, IR Spectroscopic Studies and Crystal Structure

1983 ◽  
Vol 38 (3) ◽  
pp. 373-377 ◽  
Author(s):  
Christian Burschka ◽  
Eyup Akgün ◽  
Ulf Pindur
Keyword(s):  
Nmr Spectra ◽  
Spectroscopic Studies ◽  
Membered Ring ◽  
Spectroscopic Methods ◽  
X Ray Diffraction ◽  
Symmetrical Structure ◽  
Ir And Nmr Spectra ◽  
X Ray ◽  
Intramolecular Hydrogen ◽  
Ir Spectroscopic

AbstractThe structures of 1a-1d were investigated by spectroscopic methods and in the case of la in addition by X-ray diffraction, 1a, vicarious for the compounds 1, is stabilized in solution and in the crystal by an intramolecular hydrogen bond in an eight-membered ring. The IR and NMR spectra show that 1 exhibit a symmetrical structure. In the case of 1 a the molecular structure is affected by unsymmetrical packing and electrostatic effects in the crystal and is therefore approximated best between the forms I and II.

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