Bimetallic tetrathiocyanates and selenocyanates as lewis acids

Singh, Priyanka

doi:10.1016/s0010-8545(00)80369-0

Cited by 55 publications

(4 citation statements)

References 41 publications

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“…The elemental analyses are consistent with their proposed stoichiometery. (Table 1 and Figure 1) showing an end-to-end (N, S) or (N, Se) bridging mode of the SCN ) and SeCN ) groups [22,[25][26][27]30] in the heterometallic complexes. The splitting is the most sensitive v(CBN) vibration in some of the complexes and may be ascribed to relatively less symmetric bridging behaviour of SCN ) /SeCN ) group with heterometals.…”

Section: Resultsmentioning

confidence: 99%

“…The interest in homo- [14][15][16][17][18] and heteropolynuclear [19][20][21][22][23][24][25][26][27][28] complexes of transition metal ions with the ligands SCN ) and SeCN ) arises because of the (N, S/Se) bridging coordination modes of chalcogenocyanates which afford fascinating molecular structures of different dimensionalities and exhibit solid state properties. Furthermore, in general the coordination chemistry of copper is important for several reasons such as stereochemical diversity, exhibition of variable oxidation states and formation of polynuclear complexes with interesting magnetic and conducting properties.…”

Section: Introductionmentioning

confidence: 99%

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New heterometallic coordination polymers derived form chalcogenocyanates: synthesis, characterization and electrical properties

Singh

Sinha

2004

Transition Metal Chemistry

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A series of conducting mixed-metallic coordination polymers: Cu 2 Pb(SCN) 4 , CuPb(SeCN) 4 , Cu II 0:50 Cu I Pb (SCN AE SeCN) 2 , CuAg(SCN) 2 , CuAg(SeCN) 2 and CuAg(SCN AE SeCN) have been synthesized by the reaction of Cu II and Pb II or Ag I nitrates with KSCN or KSeCN, or both KSCN and KSeCN in H 2 O. Of significance are the aerobic reactions which yield heterometallic complexes via oxidation of SCN ) and SeCN ) into (SCN) 2 and (SeCN) 2 followed by quantitative reduction of Cu II into Cu I ; in the case of CuPb(SeCN) 4 reduction of Cu II into Cu I is not observed, while in Cu II 0:50 Cu I Pb(SCN AE SeCN) 2 , Cu II is partially reduced to Cu I . These compounds have been characterized by elemental (C, N, S and Se) analyses, magnetic moment measurements, relevant spectroscopies (i.r., far i.r., Raman, u.v.-vis. and e.p.r.), powder X-ray diffraction pattern and conductivity technique. The v(CBN) vibrations in 2162-2087 cm )1 and far i.r. bands (500-100 cm )1 ) corroborated by Raman bands are conclusive of the bridging (N, S/Se) mode and metal-NCS and metal-SCN/SeCN ) bonding respectively in the complexes. Room temperature magnetic moment, electronic absorption spectra and e.p.r. active/silent nature confirm the oxidation state of copper in these solids. Room temperature compressed pellet conductivities r rt , 10 )9 to 10 )7 S cm )1 with activation energies, E a ¼ 0.19-0.25 eV and increase in the conductivity with increase in temperature in the 305-423 K, range and decrease in conductivity with decrease in temperature in the 295-200 K range, show their semiconductor properties.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

New heterometallic coordination polymers derived form chalcogenocyanates: synthesis, characterization and electrical properties

Singh

Sinha

2004

Transition Metal Chemistry

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“…The carbonyl group of amino acids of dNTP substrate binding may involve in the polar interaction with the polar groups on the compounds (ligands). The extent of this polar-polar interaction is evaluated with the help of stability parameter DE nm à (Singh et al, 2003(Singh et al, , 2004(Singh et al, , 2005Singh, 1980;Singh and Atreya, 1982).…”

Section: Resultsmentioning

confidence: 99%

“…The higher the DE nm à , the greater the stability of the compound (Singh et al, 2003(Singh et al, , 2004(Singh et al, , 2005Singh, 1980;Singh and Atreya, 1982).…”

Section: Theorymentioning

confidence: 99%

Quantum chemical-based drug–receptor interaction of tetrahydroimidobenzodiazepinones (HIV-1-NNRTIs) with receptor (HIV-1-NNRTI-binding pocket)

Khan¹,

Khan²,

Ansari³

2010

Med Chem Res

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The chemical forces responsible for interaction of drug (HIV-1-NNRTI) with receptor (HIV-1-NNRTIbinding pocket) have been studied by evaluating log P and SASA for the measurement of hydrophobic interaction; energy of protonation (DE) for the measurement of most favorable hydrogen bond acceptor site; bond length and bond strain for the measurement of strength of hydrogen bond formed between drug and receptor; DE nm à = jE n à -E m à j for the measurement of polar interaction. The molecular modeling and geometry optimization of the compounds (drugs) and receptor amino acids (Val, Met, and Tyr) have been done using MOPAC-2002 associated with CAChe software. Softness Calculator has been used to evaluate effective atomic softness (E n à and E m à ). The results indicate that there is strong and effective hydrophobic interaction between hydrophobic substituent at site-6 of the drug and Val-Y187 of the receptor; hydrophobic substituent at site-5 and Met-Y184. Similarly, hydrogen bonds are formed between N-atom (site-6) of the drug and Hatom of the phenolic group of the Tyr-Y188; between phenolic group of the Tyr-181 and H-atom (site-1) of the drug. Polar interaction (charge transfer) occurs between -C=O/S (site-2) of the drug and -CONH-of Asn-Y182-Tyr-Y183.

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Synthesis of Homo- and Hetero-Bimetallic Complexes Containing the Ni(C6F5)2 Moiety – Crystal Structure of [(C6F5)2Ni(μ-SPh)2Pd(dppe)]

Sánchez

Momblona

Sánchez

et al. 1998

Eur. J. Inorg. Chem.

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The compound cis‐[Ni(C6F5)2(PhCN)2] has been used as the starting material for the preparation of the bimetallic complexes [(C6F5)2Ni(μ‐X)2Ni(C6F5)2]2– (X = SCN, OCN, N3), [(C6F5)2Ni(μ‐SCN)2Pd(C6F5)2]2–, [(C6F5)2Ni(μ‐NCS)2Pd‐(dppe)] [dppe = 1,2‐bis(diphenylphosphanyl)ethane], and the trimetallic[(C6F5)2Ni(μ‐NCS)2Pd(μ‐SCN)2Ni(C6F5)2]2–. The mononuclear compounds [(C6F5)2NiLX] (L = PPh3, P(C6H4MeO‐p)3; X = SCN, OCN) are obtained by reaction between [(C6F5)2Ni(&μ‐X)2Ni‐(C6F5)2]2– and L. The treatment of cis‐[Ni(C6F5)2(PhCN)2] with [M(SAr)2(dppe)] leads to the formation of the arylthiolate complexes [(C6F5)2Ni(μ‐SAr)2M(dppe)] (Ar = Ph, C6H4Me‐p, C6H4NO2‐p; M = Ni, Pd, Pt). The X‐ray diffraction study of [(C6F5)2Ni(μ‐SPh)2Pd(dppe)] shows that both metal atoms, Ni and Pd, are coordinated in a slightly distorted square‐planar geometry and the μ‐thiolato groups are in the syn conformation.

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Bimetallic tetrathiocyanates and selenocyanates as lewis acids

Cited by 55 publications

References 41 publications

New heterometallic coordination polymers derived form chalcogenocyanates: synthesis, characterization and electrical properties

New heterometallic coordination polymers derived form chalcogenocyanates: synthesis, characterization and electrical properties

Quantum chemical-based drug–receptor interaction of tetrahydroimidobenzodiazepinones (HIV-1-NNRTIs) with receptor (HIV-1-NNRTI-binding pocket)

Synthesis of Homo- and Hetero-Bimetallic Complexes Containing the Ni(C6F5)2 Moiety – Crystal Structure of [(C6F5)2Ni(μ-SPh)2Pd(dppe)]

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