Indian Journal of Chemistry

 
Sect. A: Inorganic, Bio-inorganic, Physical, Theoretical & Analytical


Total visitors: 1,665      since 14-03-06

 

VOLUME 45A

·         NUMBER 3

·         March 2006

·         CONTENTS

Papers

 

581

 

 

Synthesis and characterization of poly(N-acryloyl-carbazole)

 

 

 

 

 

 

 

 

 

A S Brar* & Pravin Kumar Singh

 

 

 

 

 

587

 

Kinetic and mechanistic study of oxidative degradation of isonicotinate ion by diperiodatonickelate(IV) in aqueous alkaline medium

 

 

 

R T Mahesh, M B Bellakki & S T Nandibewoor*

 

 

 

 

593

 

Partial molar quantities and thermodynamic interaction parameters for some
binary mixtures: CH2Cl2 + CS2, CH3OH + CCl4, CH3OH + C6H6 and CH3OH + CHCl3 systems

 

 

 

 

 

 

A Guha* & N K Ghosh

 

 

Partial molar volume, partial pressure, isothermal compressibilities and Kirkwood-Buff interaction parameters have been calculated for CH2Cl2 + CS2, CH3OH + CCl4, CH3OH + C6H6 and CH3OH + CHCl3 systems using statistical mechanical methodology.

 

 

599

 

Pd(II) catalysed and Hg(II) co-catalysed oxidation of D-arabinose and D-ribose by N-bromoacetamide in perchloric acid medium: A kinetic and mechanistic study

 

 

Ashok Kumar Singh*, Vineeta Singh, Ashish & Jaya Srivastava

 

 

 

The kinetics and mechanism of the homogeneously Pd(II) catalysed oxidation of D-arabinose (Arb) and
D-ribose (Rib) by N-bromoacetamide (NBA) in perchloric acid medium, using mercuric acetate as scavenger for  ions as well as co-catalyst is reported.  The reaction exhibits first order kinetics at low [NBA] and [sugars] (Arb and Rib), and tends towards zero-order at high [NBA] and [sugars]. A plausible mechanism involving reaction stoichiometry, and product analysis has also been proposed.

 

 

609

 

Studies on kinetic behavior of colloidal dispersion of Mg-Al hydrotalcite-like compounds

 

 

 

 

 

 

 

 

 


Z L Jin, W G Hou*, D J Sun & C G Zhang

 

 

 

The aggregation kinetics of dispersion of Mg-Al hydrotalcite-like compounds (HTlc) at various KCl concentrations (CKCl) has been investigated by dynamic light scattering, electrophoresis and interaction energy calculations. In the three regimes observed, the phenomena of stability or aggregation upon addition of electrolyte have been characterized as mostly stable, slow aggregating and fast aggregating, respectively. In the range, 0 < CKCl < 20 mM, the mean hydrodynamic diameter (dmean) initially decreases slightly, and then increases slowly with increasing ionic strength. The colloidal dispersion can thus be considered as stable.

 

614

 

Synthetic, spectroscopic and electrochemical behaviour of biomimetic copper(II) complex with CuN4 chromophore

 

 

 

 

 

 

 

 

R N Patel*, Nripendra Singh & V L N Gundla

 

 

 

A new copper(II) complex has been synthesized and characterized using different physiochemical techniques. The geometry around the copper(II) is distorted tetrahedral (due to tetrahedral distortion from planar) established by high g||, low A|| value and also by Symons plot.

 

 

 

619

 

Binuclear and tetranuclear dioxouranium(VI), zinc(II) and copper(II) complexes derived from bis(2-hydroxy-1-naphthaldehyde) malonoyldihydrazone

 

 

 

 

 

 

 

R A Lal*, D Basumatary, J Chakraborty,
S Bhaumik & A Kumar

 

 

 

The complexes [(UO2)(CH2L)(H2O)4] (1), [M4(CH2L)2(H2O)4].4H2O [M= Zn (2) and Cu (3)], (MI)2[(UO2F)2(CH2L) (H2O)2] [M = K (4), Na (6)], MI[(UO2)2(CH2L)(OAc)(H2O)2] [M = K (5), Na (7)],
K4[(MF)2(CH2L)2].4H2 [M = Zn (8) and Cu (9)] have been synthesized from reactions of appropriate metal salts with bis(2-hydroxy-1-naphthaldehyde)malonoyl­dihydrazone (CH2LH4). The structural assessment of the complexes has been carried out on the basis of electronic, infrared, 1H NMR and 13C NMR spectral studies.

 

 

629

 

Conjugated organic dyes for dye-sensitized solar cells

 

 

 

 

 

 

 

L Giribabu*, M Chandrasekheram,M Lakshmi Kantham, V Gopal Reddy,D Satyanarayana, O S Rao & P Yella Reddy

 

 

 

A new organic dye which has two carboxyl anchoring groups based on N,N¢-dimethyl cinnamaldehyde is reported. The dye has been tested in dye-sensitized solar cell in a durable redox electrolyte.

 

Notes

 

635

 

Determination of Pd(II) with flame atomic absorption spectrometry after flow injection on-line microcolumn preconcentration and separation with thiourea-formaldehyde resin immobilized silica gel as packing

 

 

 

Peng Liu*, Xiongzhi Wu, Qiaosheng Pu &
Zhixing Su

 

 

 

 

639

 

Mercury(II) ion sensing with PVC-matrix based membrane sensors

 

 

 

 

 

 

 

 

Rakesh Kumar Mahajan*, Ravneet Kaur &
Tarlok S Lobana

 

 

 

Thiosemicarbazone derivatives have been used as ion carriers for the preparation of PVC-matrix based mercury(II)-selective membrane sensors. The electrodes give near-Nernstian responses in the linear concentration range of 1.0×10-1 - 5.0×10-6 M with detection limits of the order of ~10-6 M. Better selectivity for mercury(II) ions is observed over many of the monovalent (Na+, K+ and NH4+) and divalent ions (Mg2+, Ca2+, Zn2+, Pb2+, Ni2+, Co2+, etc.). The sensors have also been used as indicator electrodes in potentiometric titration of mercury(II) ions with EDTA and its determination in synthetic water samples.

 

643

 

Cyclic voltammetry of Ga(III) in sodium perchlorate and sodium thiocyanate at static mercury drop electrode

 

 

 

 

 

 

 

 

 

 

 

 

 

 

H S Sharma, T K Bhardwaj, P C Jain &
S K Aggarwal*

 

 

 

Cyclic voltammetry of Ga(III)/Ga electrode process has been investigated in sodium perchlorate as well as in sodium perchlorate containing sodium thiocyanate, at Static Mercury Drop Electrode (SMDE). Large difference between cathodic and anodic peak potentials (ΔE ≈ 600 mV) and ratio of anodic to cathodic peak current (Ipc/Ipa ≈ 0.1) confirms that the electrode process involving electro-reduction of Ga(III) and electro-oxidation of Ga is highly irreversible at SMDE. The electrode processes of Ga(III) reduction has been found to be diffusion controlled in 3-4 M NaClO4 in presence of 0.5 M NaSCN and electro-oxidation in 2-4 M NaClO4 in presence of 0.5 M sodium thiocyanate. Controlled potential coulometry confirms that Ga(III)/Ga electrode process involves three electron transfer and electro-oxidation of Ga to Ga (III) is much faster as compared to electro-reduction of Ga (III) in 4 M NaClO4+0.5 M NaSCN.

 

648

 

Quantification of Brönsted acidity of rare earth exchanged (Ce3+, La3+, Sm3+ and RE3+) NaFAU-Y zeolites in their Brönsted acid forms

 

 

 

 

 

 

 

 

 

 

Bejoy Thomas & S Sugunan*

 

 

 

Thermodesorption of sterically hindered molecule such as 2,6-dimethyl pyridine (2,6-DMP) and cumene cracking test reactions have been applied to determine the nature of Brönsted acid sites in pure H-Y, and various rare earth exchanged (Ce3+, La3+, Sm3+, and RE3+) Na-Y zeolites. Incompatibility in the amount of 2,6-DMP desorbed is clearly an indication of the influence of the nature of rare earth metal ions in producing BAS in zeolites. A one-to-one correlation has been observed between the amount of benzene formed during the catalytic cracking of cumene and Brönsted acidity measured by thermodesorption of the probe molecule.

 

 

653

 

Refractometric and dielectric studies of binary liquid mixtures at different temperatures

 

 

 

 

 

 

 

 

 

 

J D Pandey*, Jyotsna Chhabra, N K Soni,
K K Tiwari & R K Mishra

 

 

 

Thermal expansion coefficients of binary mixtures, viz., methyl acetoacetate + aliphatic alcohols (C3-C8) at different temperatures, 298.15 K, 303.15 K and 308.15 K, have been computed theoretically using Eykman and Lorentz-Lorenz relations, and compared with experimental findings. Deviations in refractive indices, dielectric constant and molar polarization have been computed for six binary mixtures, viz., 1,2-dichloroethane + n-alkanes/2,2,4-trimethylpentane at two temperatures, 293.15 K and 313.15 K. Computed properties have been utilized to study the molecular interactions occurring in mixtures.

 

 

Authors for correspondence are indicated by (*)

 

 

 

 

Indian Journal of Chemistry
Vol. 45A, March 2006, pp. 581-586

Synthesis and characterization of poly(N-acryloylcarbazole)

A S Brar* & Pravin Kumar Singh

Received 8 February 2005; revised 27 January 2006

N-acryloylcarbazole was prepared in a two-step synthesis starting from carbazole. Poly(N-acryloylcarbazole) was prepared by bulk polymerization using benzoyl peroxide (BPO) as free-radical initiator at 100°C. N-acryloylcarbazole was characterized by One-dimensional NMR (1H, 13C {1H} and Distortionless Enhancement by Polarization Transfer (DEPT)) experiments. Assignments of One-dimensional NMR spectra were further confirmed by Two-dimensional Heteronuclear Single Quantum Coherence (HSQC) experiment and Total Correlation Spectroscopy (TOCSY). Characterization of poly(N-acryloylcarbazole) was done by 13C {1H} and DEPT NMR experiments. The signals obtained for poly(N-acryloylcarbazole) were broad due to the restricted rotation of bulky carbazole group and the quadrupolar effect of nitrogen present in carbazole moiety. Assignments of One-dimensional NMR spectra were further confirmed by HSQC experiments. The molecular weight of poly(N-acryloylcarbazole) was determined by Gel Permeation Chromatography (GPC). Its thermal stability was determined by thermogravimetric analysis (TG/DTA) and Glass transition temperature (Tg) was determined by Differential Scanning Calorimetry (DSC).

IPC Code: C07D209/82; C08F126/06

Indian Journal of Chemistry

Vol. 45A, March 2006, pp. 587-592

Kinetic and mechanistic study of oxidative degradation of isonicotinate ion by diperiodatonickelate(IV) in aqueous alkaline medium.

 

R T Mahesh, M B Bellakki & S T Nandibewoor*

Received 31 May 2004; revised 23 January 2006

The kinetics of oxidation of isonicotinate ion by alkaline diperiodatonickelate(IV) has beenwas studied spectrophotometrically. The reaction is first order with respect to [DPN] and is an apparently less than unit order, each in [isonicotinate ion] and [alkali] under the experimental conditions. However, the order in [isonicotinate ion] and [alkali] changes from first order to zero order as their concentrations  change from lower to higher concentrations respectivelyincrease. Reaction rate increases with increase in ionic strength and decrease in solvent polarity of the medium. Addition of periodate has no effect on the reaction rate. A mechanism involving the deprotonated diperiodatonickelate(IV) (DPN) as the reactive oxidant species has been proposed. The reaction constants involved in the mechanism were evaluated. There is a good agreement between the observed and calculated rate constants under varying experimental conditions. The activation parameters   with respect to the slow step of scheme were have been evaluated and discussed.

IPC Code: Int. Cl.8 C07B33/00

Indian Journal of Chemistry

Vol. 45A, March 2006, pp. 593-598

 

Partial molar quantities and thermodynamic interaction parameters for some binary mixtures: CH2Cl2 + CS2, CH3OH + CCl4, CH3OH + C6H6 and CH3OH + CHCl3 systems

 

A Guha* & N K Ghosh

Received 21 July 2005; accepted 14 January 2006

The molecular structures and the solute-solvent interaction play vital role in finding the correlation between the like and unlike molecules in a mixture. The systems CH2Cl2 + CS2, CH3OH + CCl4, CH3OH + C6H6 and CH3OH + CHCl3 have been investigated over the whole composition range. Statistical thermodynamics shows a way to calculate the partial molar quantities, isothermal compressibilities and interaction parameters through a few parameters like density, hard sphere diameter, temperature. The interaction is represented by Kirkwood-Buff parameters Gij, Gjj and Gii, representing the like-like and like-unlike molecular interactions. The partial molar volumes, partial vapour pressures and partial isothermal compressibilities have also been also calculated from statistical thermodynamics. The interaction parameters at different mole fractions are discussed and compared with other experimental results of partial vapour pressures.

 

Indian Journal of Chemistry

Vol. 45A, March 2006, pp. 599-608

Pd(II) catalysed and Hg(II) co-catalysed oxidation of D-arabinose and D-ribose by N-bromoacetamide in perchloric acid medium: A kinetic and mechanistic study

 

Ashok Kumar Singh*, Vineeta Singh, Ashish & Jaya Srivastava

Received 8 July 2005; accepted 19 November 2005

The kinetics and mechanism of the homogeneously Pd(II) catalysed oxidation of D-arabinose (Arb) and D-ribose (Rib) by N-bromoacetamide (NBA) in perchloric acid medium, using mercuric acetate as scavenger for  ions as well as co-catalyst have been investigated in the temperature range 308-323 K. The kinetic results exhibit first order kinetics at low [NBA] and [sugars] (Arb and Rib), tend towards zero-order at high [NBA] and [sugars]. The oxidation rate is directly proportional to [Pd(II)], while inverse fractional order in each of ,  and [acetamide] is observed. A positive effect on the rate of the reaction has been found on the successive addition of , whereas change in the ionic strength (m) of the medium does not influence the reaction rate. Formic acid and D-erythronic acid for the oxidation of both Arb and Rib have been identified as main oxidation products of the reactions. The various activation parameters have also been evaluated. A plausible mechanism involving reaction stoichiometry, product analysis has also been proposed.

IPC Code: Int. Cl.8 C07B33/00; B01J23/06; B01J23/44

 

Indian Journal of Chemistry

Vol. 45A, March 2006, pp. 609-613

 


Studies on kinetic behaviour of colloidal dispersion of
Mg-Al hydrotalcite-like compounds

 

Z. L. Jin, W. G. Hou*, D. J. Sun & C. G. Zhang

Received 19 July 2004; revised 23 January 2006

The aggregation kinetics of dispersion theof Mg-Al Hhydrotalcite-like compounds (HTlc) dispersion at various KCl concentrations (CKCl) washas been investigated by dynamic light scattering(DLS), electrophoresis and interaction energy calculations. It’s found that In the three different regimes can bethat are observed,. In these regimes tthe phenomena of stability or aggregation upon addition of electrolyte are have been characterized as mostly stable, slow aggregating and fast aggregating, respectively. In the range of of 0 < CKCl < 20 mM, the mean hydrodynamic diameter (dmean) first initially decreases littleslightly, and then increases slowly with increasing ionic strength increasing and thus, the colloidal dispersion can be considered as stable. In the range of 20 < CKCl < 205 mM, aggregation rate increases with the increase of CKCl, and indicating that this regime is a slow aggregation regime. In the range of CKCl > 205 mM, the aggregation rate reaches a maximum, and this regime isshowing it to be a fast aggregation regime where the aggregation rate constant is independent of the electrolyte concentration. The stability ratio ( Wfast ) in fast aggregation regime is higher than unity. The critical electrolyte concentration (Cc) for the Mg-Al HTlc sample wasis found to be 205 mM.

 

Indian Journal of Chemistry

Vol. 45A, March 2006, pp. 614-618

Synthetic, spectroscopic and electrochemical behaviour of biomimetic copper(II) complex with CuN4 chromophore

R N Patel*, Nripendra Singh & V L N Gundla

Received 13 September 2005; accepted 21 January 2006

X-band electron paramagnetic resonance, electronic spectra and cyclic voltammetry of [Cu(Phen)2](BF4)2 where phen = 1,10-phenanthroline, is reported here. The solution co-ordination structure of the title complex has been ascertained. The geometry around the copper(II) is distorted tetrahedral (due to tetrahedral distortion from planar) established by high g||, low A|| and high g||/A|| value and also by Symons plot. Superoxide dismutase activity of the compound has also been measured. The complex catalyzes the dismutation of O2¯ with an IC50 value of 3.5 m mol dm-3.

IPC Code: Int.Cl.8 C07F1/08

Indian Journal of Chemistry

Vol. 45A, March 2006, pp. 619-628

Binuclear and tetranuclear dioxouranium(VI), zinc(II) and copper(II) complexes derived from bis(2-hydroxy-1-naphthaldehyde)malonoyldihydrazone

R A Lal*, D Basumatary, J Chakraborty, S Bhaumik & A Kumar

Received 16 May 2005; accepted 26 December 2005

The complexes [(UO2)(CH2L)(H2O)4] (1), [M4(CH2L)2(H2O)4].4H2O [M= Zn (2) and Cu (3)], (MI)2[(UO2F)2(CH2L) (H2O)2] [M = K (4), Na (6)], MI[(UO2)2(CH2L)(OAc)(H2O)2] [M = K (5), Na (7)], K4[(MF)2(CH2L)2].4H2[M=Zn(8) and Cu (9)] have been synthesized from reaction of appropriate metal salts with bis(2-hydroxy-1-naphthaldehyde)malonoyl­dihydrazone (CH2LH4) in different experimental conditions in ethanol/methanol media. The complexes have been characterized by elemental analyses, molecular weight, molar conductance, magnetic moment and ESR data. The structural assessment of the complexes has been carried out on the basis of electronic, infrared, 1H NMR and 13C NMR spectral studies.

IPC Code: Int. Cl.8 C07F1/08; C07F3/06; C07F5/00

Indian Journal of Chemistry

Vol. 45A, March 2006, pp. 629-634

Conjugated organic dyes for dye-sensitized solar cells†

L Giribabu*, M Chandrasekheram, M Lakshmi Kantham, V Gopal Reddy, D Satyanarayana, O S Rao & P Yella Reddy

Received 19 September 2005; accepted 8 January 2006

A new metal-free sensitizer 2-[3-(4-dimethylamino-phenyl)-allylidene]-malonic acid (2) has been synthesized by the condensation of N,N¢-dimethylaminocinnaldehyde and malonic acid. This dye has two carboxyl groups on the same carbon atom, which act as better electron withdrawing groups in addition to providing effective anchoring to titanium dioxide. The new dye has characterized by UV-Vis, 1H NMR and CHN analysis. Dye-sensitized nanocrystalline-titanium dioxide-semiconductor solar cells (DSSC) have been tested in a stable and durable redox electrolyte. The efficiency of dye is as high as 1.38%. The dye molecule is thermally stable up to 100°C.

IPC Code : C09B ; H01L31/00

Indian Journal of Chemistry

Vol. 45A, March. 2006, pp. 635-638

Determination of Pd(II) with flame atomic absorption spectrometry after flow injection on-line microcolumn preconcentration and separation with thiourea-formaldehyde resin immobilized silica gel as packing

Peng Liu*, Xiongzhi Wu, Qiaosheng Pu & Zhixing Su

Received 13 May 2004; revised 23 January 2006

A flow injection on-line preconcentration and separation-flame atomic absorption spectrometric method is developed and applied to analysis of trace Pd(II) with thiourea-formaldehyde resin immobilized silica gel as packing. With a sample acidity of  0.2 mol/l HCl, Pd(II) is effectively preconcentrated on the microcolumn packing and then eluted with thiourea solution. When 0.1 mg/ml of Pd(II) is preconcentrated for 60 s with a sample flow rate of 4.8 ml/min, the system can tolerate 20.0 mg/ml of anion and 5.0 mg/ml of common metal ions. The limit of detection is 1.5 ng/ml with the relative standard deviation being not more than 2.0%. The proposed method has been applied for analysis of metallurgical samples and results are in good agreement with the certified values.

IPC Code: Int. Cl.8 G01J3/42

 

Indian Journal of ChemistryVol. 45A, March 2006, pp. 639-642

Mercury(II) ion sensing with PVC-matrix based membrane sensors

Rakesh Kumar Mahajan*, Ravneet Kaur & Tarlok S Lobana

Received 14 September 2005; accepted 23 January 2006

Thiosemicarbazone derivatives have been used as ion carriers for the preparation of PVC-matrix based mercury(II)-selective membrane sensors. The electrodes give near-Nernstian responses in the linear concentration range of 1.0×10-1-5.0×10-6 M with detection limits of the order of ~ 10-6 M. The stable potentiometric signals are obtained within a short time period of 20-25s. The effect of different plasticizers has been studied and dioctylsebacate (DOS) found to give a better response in comparison to other plasticizers. Selectivity coefficient values (log) have been evaluated using fixed interference method. Better selectivity for mercury(II) ions is observed over many of the monovalent (Na+, K+ and NH4+) and divalent ions (Mg2+, Ca2+, Zn2+, Pb2+, Ni2+, Co2+, etc.). The sensors have also been used as indicator electrodes in potentiometric titration of mercury(II) ions with EDTA and its determination in synthetic water samples.

IPC Code: Int. Cl.8 G01N27/333

Indian Journal of ChemistryVol. 45A, March. 2006, pp. 643-647

Cyclic voltammetry of Ga(III) in sodium perchlorate and sodium thiocyanate at static mercury drop electrode

H S Sharma, T K Bhardwaj, P C Jain & S K Aggarwal*

Received 30 November 2004; revised 20 January 2006

Cyclic voltammetry (CV) of Ga(III)/Ga electrode process has been investigated in sodium perchlorate as well as in sodium perchlorate containing sodium thiocyanate, at Static Mercury Drop Electrode (SMDE). Large difference between cathodic and anodic peak potentials (ΔE ≈ 600 mV) and ratio of anodic to cathodic peak current (Ipc/Ipa ≈ 0.1) confirm that the electrode process involving electro-reduction of Ga(III) and electro-oxidation of Ga is highly irreversible at SMDE. Effect of concentrations of sodium perchlorate, sodium thiocyanate and scan rate on the CV behaviour has also been studied. The Ga(III)/Ga electrode process remains highly irreversible in 1-4 M sodium perchlorate. However, positive shift of ≈480 mV in cathodic peak potential is observed on adding 0.5 M sodium thiocyanate to sodium perchlorate and the CV behaviour approachs closer to reversible in 4 M NaClO4+0.5 M NaSCN. Maximum anodic and cathodic peak currents of unequal heights are observed at 0.5 M sodium thiocyanate in 4 M sodium perchlorate. The electrode processes of Ga(III) reduction has been found to be diffusion controlled in 3-4 M NaClO4 in presence of 0.5 M NaSCN and electro-oxidation in 2-4 M NaClO4 in presence of 0.5 M sodium thiocyanate. Controlled potential coulometry confirms that Ga(III)/Ga electrode process involves three electron transfer and electro-oxidation of Ga to Ga (III) is much faster as compared to electro-reduction of Ga (III) in 4 M NaClO4+0.5 M NaSCN.

IPC Code: Int. Cl.8 G01N27/00

 

Indian Journal of ChemistryVol. 45A, March 2006, pp. 648-652

Quantification of Brönsted acidity of rare earth exchanged (Ce3+, La3+, Sm3+ and RE3+) NaFAU-Y zeolites in their Brönsted acid forms

Bejoy Thomas & S Sugunan*

Received 25 October 2004; revised 20 January 2006

Thermodesorption of sterically hindered molecule such as 2,6-dimethyl pyridine (2,6-DMP) and cumene cracking test reactions have been applied to determine the nature of Brönsted acid sites (BAS) in pure H-Y, and various rare earth exchanged (Ce3+, La3+, Sm3+, and RE3+) Na-Y zeolites. Incompatibility in the amount of 2,6-DMP desorbed is clearly an indication of the influence of the nature of rare earth metal ions in producing BAS in zeolites. A one-to-one correlation has been observed between the amount of benzene formed during the catalytic cracking of cumene and Brönsted acidity measured by thermodesorption of the probe molecule.

IPC Code: Int.Cl.8 B01J29/800

 

Indian Journal of ChemistryVol. 45A, March 2006, pp. 653-656

 

Refractometric and dielectric studies of binary liquid mixtures at different temperatures

J D Pandey*, Jyotsna Chhabra, N K Soni, K K Tiwari & R K Mishra

Received 14 July 2005; revised 22 October 2005

Thermal expansion coefficients of binary mixtures, viz., methyl acetoacetate + aliphatic alcohols (C3-C8) at different temperatures, 298.15 K, 303.15 K and 308.15 K, have been computed theoretically using Eykman and Lorentz-Lorenz relation, and are compared with experimental findings. Deviations in refractive indices, dielectric constant and molar polarization have been computed for six binary mixtures, viz., 1,2-dichloroethane + n-alkanes/2,2,4-trimethylpentane at two temperatures, 293.15 K and 313.15 K. Computed properties have been utilized to study the molecular interactions occurring in mixtures.

IPC Code: Int. Cl.8 G01N