scholarly journals Controlled Synthesis, Characterization and Magnetic Properties of Unsymmetrical Heterodinuclear CuIIMII (M = Co, Mn and Cd) Complexes in Alkoxo Bridged Acyclic Ligand Environment

2020 ◽  
Vol 32 (9) ◽  
pp. 2284-2292
Author(s):  
DIPESH GHOSH
Keyword(s):  
Ground State ◽  
Spectral Studies ◽  
Controlled Synthesis ◽  
Site Specificity ◽  
Magnetic Studies ◽  
X Ray ◽  
X Ray Crystallography ◽  
Synthetic Procedure ◽  
Binucleating Ligands ◽  
Spin Ground State

This work reports the syntheses of heterodinuclear Cu(II)-Co(II), Cu(II)-Mn(II) and Cu(II)-Cd(II) complexes following a convenient single-pot synthetic procedure using the two asymmetric binucleating ligands. Site-specificity offered by one of the ligands' arms towards Cu(I) center has been successfully exploited here, avoiding all sorts of impending scrambling reactions. X-ray crystallography and ESImass spectral studies have been used to prove the exclusivity of these products. Magnetic studies at variable temperatures (4-300 K) have been proved inadequate to assign any spin-ground state for Cu(II)-Co(II) and Cu(II)-Mn(II) compounds.

Systhesis, Characterization and Spectroscopic Properties of (2E,6E)-2,6-Bis(2,3,4-tri-methoxy-benzylidene)cyclohexanone

2011 ◽  
Vol 396-398 ◽  
pp. 2338-2341
Author(s):  
Xing Chuan Wei ◽  
Zhi Li Liu ◽  
Kun Zhang ◽  
Zhi Yun Du ◽  
Xi Zheng
Keyword(s):  
Crystal Structure ◽  
Acetic Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Spectroscopic Properties ◽  
Spectral Studies ◽  
Double Bonds ◽  
X Ray ◽  
Π Interactions ◽  
X Ray Crystallography

In this paper, (2E,6E)-2,6-Bis(2,3,4-tri-methoxy -benzylidene)cyclohexanone (omitted as tmbcho) (1) was obtained by the reaction of acetic acid, tetrahydrofuran, cyclohexanone and 2,3,4-tri-methoxy-benzaldehyde. Three non-classic hydrogen bonds were observed in the compound. X-ray crystallography shows that the crystal structure is stabilized by intermolecular C-H•••π interactions and it contains plenty of conjugated double bonds. The title compound was characterized by UV-vis and fluorescent spectral studies.

An amino–imino resonance study of 2-amino-4-methylpyridinium nitrate and 2-amino-5-methylpyridinium nitrate

2012 ◽  
Vol 69 (1) ◽  
pp. 61-65 ◽  
Author(s):  
Xing-Chen Yan ◽  
Yu-Hua Fan ◽  
Cai-Feng Bi ◽  
Xia Zhang ◽  
Zhong-Yu Zhang
Keyword(s):  
Density Functional Theory ◽  
Ir Spectroscopy ◽  
Ground State ◽  
Density Functional ◽  
Acta Cryst ◽  
Functional Theory ◽  
X Ray ◽  
X Ray Crystallography ◽  
Ground State Structures

The contributions of the amino and imino resonance forms to the ground-state structures of 2-amino-4-methylpyridinium nitrate, C6H9N2+·NO3−, and the previously reported 2-amino-5-methylpyridinium nitrate [Yan, Fan, Bi, Zuo & Zhang (2012).Acta Cryst.E68, o2084], were studied using a combination of IR spectroscopy, X-ray crystallography and density functional theory (DFT). The results show that the structures of 2-amino-4-methylpyridine and 2-amino-5-methylpyridine obtained upon protonation are best described as existing largely in the imino resonance forms.

Synthesis, structure, and preliminary magnetic studies of unprecedented hexacopper(ii) barrel clusters with spin ground state S = 3

2003 ◽  
pp. 2318-2324 ◽  
Author(s):  
Li-Yan Wang ◽  
Satoshi Igarashi ◽  
Yasuhiko Yukawa ◽  
Yoshimasa Hoshino ◽  
Olivier Roubeau ◽  
...  
Keyword(s):  
Ground State ◽  
Magnetic Studies ◽  
Spin Ground State

An Expeditious Approach to Trisubstituted Chiral Tetrahydrofurans

2000 ◽  
Vol 55 (3-4) ◽  
pp. 317-320 ◽  
Author(s):  
Fazila Iqbal ◽  
Mohammed Saleh Shekhani ◽  
Abdul Malik ◽  
Masood Parvez ◽  
Uzma Riaz ◽  
...  
Keyword(s):  
Spectral Studies ◽  
Target Compound ◽  
X Ray ◽  
X Ray Crystallography ◽  
Similar Strategy

Abstract Ozonolysis of 3,6-anhydro-4-0-(p-toluenesulphonyl)-D-glucal (9), obtained in four steps from D-glucose, provided the target compound 11. The structure and configurations of 9 and 11 have been determined by spectral studies and X-ray crystallography. Similar strategy with D-galactose provided the corresponding derivatives 10 and 12, respectively

Crystal structure of Bis(2,2':6',2''-terpyridyl)cobalt(II) iodide dihydrate at 295 K and at 120 K

1983 ◽  
Vol 36 (8) ◽  
pp. 1527 ◽  
Author(s):  
BN Figgis ◽  
ES Kucharski ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Ground State ◽  
Title Compound ◽  
Room Temperature ◽  
X Ray Diffraction ◽  
X Ray ◽  
A Site ◽  
Tetragonal Cell ◽  
Spin Ground State

The crystal structure of the title compound, [CO(C15H11N3)2] 12.2H2O, has been determined by single crystal X-ray diffraction methods at 295 K and at 120 K, being refined by least squares to residuals of 0.051 and 0.035 respectively for 982 and 1024 'observed' reflections at these temperatures. Both structures are based on a P42/n tetragonal cell, a c. 8.9, c c. 19.4 �, Z 2, in which only a quarter of the cation is independent, being located about a site of 4 symmetry. At room temperature (μoff c. 3.2 BM) Co-N (central, distal) are 1.942(7), 2.104(5) � diminishing to 1.912(5), 2.083(4) � at 120 K, with μoff c. 2.2 BM, corresponding to a fully populated low-spin ground state.

Preparations, X-ray crystal structures, and spectral studies of seleninyl bis(trifluoromethanesulfonate) and seleninyl bis(acetate)

1988 ◽  
Vol 66 (9) ◽  
pp. 2367-2374 ◽  
Author(s):  
Ramesh Kapoor ◽  
Poonam Wadhawan ◽  
Pratibha Kapoor ◽  
Jeffery F. Sawyer
Keyword(s):  
Crystal Packing ◽  
Spectral Studies ◽  
Monoclinic Space Group ◽  
Coordination Geometry ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
X Ray Crystallography ◽  
Intermolecular Contacts ◽  
Ir And Raman

The compounds seleninyl bis(trifluoromethanesulphonate) (1) and seleninyl bis(acetate) (2) have been prepared and characterized by elemental analysis, ir and Raman spectroscopy, and X-ray crystallography. Crystals of 1 are monoclinic, space group P21/n with a = 12.735(1) Å, b = 5.163(4) Å, c = 16.133(2) Å, β = 96.426(8)°, U = 1054 Å3, Dx = 2.48 g cm−3 for Z = 4, R = 0.038 for 1745 observed reflections with I > 2.5σ(I). Those of 2 are orthorhombic, space group Pcab with a = 6,845(3) Å, b = 8.992(2) Å, c = 23.560(9) Å, U = 1450 Å3Dx = 1.95 g cm−3 for Z = 8, R = 0.074 for 1073 observed reflections with I > 3.0σ(I). The primary geometry of the Se atom in SeO(O3SCF3)2 is AX3E with a Se=O distance of 1.571(3) Å and Se—O bond lengths to the CF3SO3 ligands of 1.902(3) and 1.922(3) Å. Completing the overall coordination geometry of the Se atom are 2 intramolecular and 4 intermolecular Se … O contacts which are less than van der Waals limits. The overall coordination geometry is somewhat irregular since the two triflate anions are significantly differently arranged with respect to the SeO3E tetrahedron. The crystal packing consists of layers of interacting molecules. In 2 there is some disorder. However, the major arrangement of the molecule has Se=O and Se—O(1), Se—O(3) distances to the acetate ligands of lengths 1.575(9), 1.847(7), and 1.831(8) Å respectively. The overall geometry of the Se atom in this compound is completed by two intramolecular secondary Se … O contacts involving the second O atoms of both acetates and two intermolecular contacts involving the seleninyl oxygen atom and atom O(2) of an acetate group in two different symmetry related molecules. Overall, the crystal packing consists of essentially centrosymmetric dimeric units linked together through Se=O—Se bridges. A 1:2 adduct of 1 with pyridine has also been prepared and characterised.

1H D.N.M.R. and X-Ray Structure of 2,2-Dimethyl-1-(Para-nitrophenyl)propyl Mesityl Sulfone

1988 ◽  
Vol 41 (4) ◽  
pp. 443 ◽  
Author(s):  
LD Field ◽  
TW Hambley ◽  
BD Jacobs ◽  
K Wilson ◽  
RK Norris
Keyword(s):  
Solid State ◽  
Ground State ◽  
Activation Parameters ◽  
Carbon Bond ◽  
X Ray ◽  
X Ray Crystallography ◽  
Srn1 Reaction ◽  
Sulfur Bond

2,2-Dimethyl-1-(p- nitrophenyl ) propyl mesityl sulfone (3), formed by an SRN1 reaction between sodium mesitylenesulfinate and p-(1-chloro-2,2- dimethylpropyl )nitrobenzene displays a number of conformational interconversions in solution. The activation parameters for the rotation of the mesityl ring about the aryl-sulfur bond and the rotation of the p- nitrophenyl ring about the aryl-carbon bond were determined by 1H d.n.m.r .spectroscopy. The conformation of (3) in the solid state, determined by X-ray crystallography, is very similar to the preferred ground-state conformation of the molecule in solution.

Structural Studies of a Series of Organic Non-Linear Optical Materials

1997 ◽  
Vol 53 (5) ◽  
pp. 812-821 ◽  
Author(s):  
J. C. Cole ◽  
J. M. Cole ◽  
G. H. Cross ◽  
M. Farsari ◽  
J. A. K. Howard ◽  
...  
Keyword(s):  
Crystal Structures ◽  
Ground State ◽  
Optical Materials ◽  
Dipole Moments ◽  
Solvent Polarity ◽  
Structural Studies ◽  
Acta Cryst ◽  
X Ray ◽  
Solution State ◽  
X Ray Crystallography

The crystal structures of {4-[bis(diethylamino)methylium]phenyl}dicyanomethanide (I), {4-[cyano(4-methylpiperidyl)methylium]phenyl } dicyanomethanide (II), {4-[cyano(1-pyrrolidinyl)methylium]phenyl}dicyanomethanide (IV) and (Z)-{4-[1,3-dicyano-3-(diethylamino)-2-propenylium]phenyl} dicyanomethanide have been determined by X-ray crystallography. Together with (Z)-{4-[1-cyano-3-(diethylamino)-2-propenylium]phenyl}dicyanomethanide [(III): Cole, J. C., Howard, J. A. K., Cross, G. H. & Szablewski, M. (1995). Acta Cryst. C51, 715–718], these compounds exhibit varying degrees of quinoidal characteristics and yet have predominantly zwitterionic ground state character. The presence of high dipole moments in the crystal can thus be inferred and are substantiated by measurements of high solution-state dipole moments. Negative solvatochromism (hypsochromism on increasing solvent polarity) confirms the zwitterionic character in at least two of the series.

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