Shiv Pal - Academia.edu (original) (raw)
Papers by Shiv Pal
Journal of Molecular Structure
Department of Chemistry, Indian Institute of Science Education and Research Pune, Dr. Homi Bhaba ... more Department of Chemistry, Indian Institute of Science Education and Research Pune, Dr. Homi Bhaba Road, Pashan, Pune-411 008, Maharashtra, India <em>E</em>-<em>mail:</em> shabana@iiserpune.ac.in <em>Manuscript received 24 June 2018, accepted 11 July 2018</em> In the present study, the stoichiometry variation of N-heterocyclic carbene (NHC), <strong>1 </strong>with halogens (Br<sub>2</sub> and I<sub>2</sub>) shows its reactivity pattern toward halogens. The NHC, <strong>1 </strong>was treated with 2.0, 1.0 and 0.5 equivalent of I<sub>2</sub> to afford the complex <strong>2</strong>, <strong>3 </strong>and <strong>4 </strong>respectively. In the same fashion, the treatment of <strong>1 </strong>with 2.0 and 1.0 equivalent of Br<sub>2</sub> resulted in the formation of complexes <strong>5 </strong>and <strong>6<...
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
European Journal of Inorganic Chemistry, 2019
In this paper, we have used 2-aminopyridinato ligands (1 and 2) to stabilize two four-coordinated... more In this paper, we have used 2-aminopyridinato ligands (1 and 2) to stabilize two four-coordinated tin(II) aminopyridinato compounds ([Sn{NPh(py)} 2 ] (3) and [Sn{N(SiMe 3)py} 2 ] (4)) (py=pyridine) through a salt elimination reaction. The reactions of 3 and 4 with elemental sulfur and selenium resulted in the formation of compounds (5-8) with Sn 2 E 2 (E = S and Se)
European Journal of Inorganic Chemistry, 2018
Dalton Transactions, 2019
We have prepared three fully supported PNP-based dimeric Au(i) complexes with intramolecular Au⋯A... more We have prepared three fully supported PNP-based dimeric Au(i) complexes with intramolecular Au⋯Au interactions and studied their photophysical properties. They exhibit various colors of emission with good quantum yields.
Chemical science, Jan 14, 2018
Previous theoretical and experimental endeavors suggested that [Cu(CH)] prefers the η/η mode over... more Previous theoretical and experimental endeavors suggested that [Cu(CH)] prefers the η/η mode over the η mode due to the augmented repulsion between the benzene ring and metal d-electrons. Nevertheless, the use of silylene as a neutral ligand has led to the isolation of the first monomeric copper cation, [{PhC(NBu)SiN(SiMe)}Cu(η-CH)][SbF] (), where a copper atom is bound to the benzene ring in an unsupported η fashion. However, the use of IPr (1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene) in place of silylene results in the formation of [IPr·Cu(η-CH)][SbF] (), where the copper atom is bound to the benzene ring in the η mode. The discrepancy in hapticities is also reflected when hexamethylbenzene is employed as the arene ring. The silylene supported copper cation continues to bind in the η mode in while the NHC copper cation displays an η bonding mode in . DFT calculations are carried out to understand how the use of silylene led to the η binding mode and why IPr afforded the η bi...
Dalton transactions (Cambridge, England : 2003), Jan 14, 2017
The [3 + 2] cycloaddition reaction of phosphanyl aminoborane [N(2,6-iPr2C6H3)(PPh2)(BCy2)] (1) wi... more The [3 + 2] cycloaddition reaction of phosphanyl aminoborane [N(2,6-iPr2C6H3)(PPh2)(BCy2)] (1) with activated alkynes led to boron and phosphorus containing five-membered heterocycles [(2,6-iPr2C6H3)NPPh2(CO2R)C-C(Cy)(CO2R)(BCy)] [R = Me (2), Et (3) and H (4)] with facile cleavage of the B-C bond and concomitant formation of a P-C bond with an ylidic character. DFT calculations indicate that 1 can be considered as a non-conjugated 1,3-dipole having two reaction centers viz., a nucleophilic P-center and an electrophilic B-center. The reaction of 1 with the alkynes proceeds through a stepwise dipolar addition mechanism, followed by the migration of the cyclohexyl group from the B-atom to the adjacent C-atom.
ChemistrySelect, 2017
The present studies deal with design and synthesis of triazole based flexible molecules, their co... more The present studies deal with design and synthesis of triazole based flexible molecules, their conformational analysis and DNA binding ability. The conformational studies were carried out in solid state through crystal structure and in gaseous state through theoretical calculation. The obtained conformations, found from either crystal structure or optimized most stable conformation from theoretical calculation have been screened for DNA binding ability to find importance of conformation in flexible organic molecules.
Journal of Molecular Structure
Department of Chemistry, Indian Institute of Science Education and Research Pune, Dr. Homi Bhaba ... more Department of Chemistry, Indian Institute of Science Education and Research Pune, Dr. Homi Bhaba Road, Pashan, Pune-411 008, Maharashtra, India <em>E</em>-<em>mail:</em> shabana@iiserpune.ac.in <em>Manuscript received 24 June 2018, accepted 11 July 2018</em> In the present study, the stoichiometry variation of N-heterocyclic carbene (NHC), <strong>1 </strong>with halogens (Br<sub>2</sub> and I<sub>2</sub>) shows its reactivity pattern toward halogens. The NHC, <strong>1 </strong>was treated with 2.0, 1.0 and 0.5 equivalent of I<sub>2</sub> to afford the complex <strong>2</strong>, <strong>3 </strong>and <strong>4 </strong>respectively. In the same fashion, the treatment of <strong>1 </strong>with 2.0 and 1.0 equivalent of Br<sub>2</sub> resulted in the formation of complexes <strong>5 </strong>and <strong>6<...
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
European Journal of Inorganic Chemistry, 2019
In this paper, we have used 2-aminopyridinato ligands (1 and 2) to stabilize two four-coordinated... more In this paper, we have used 2-aminopyridinato ligands (1 and 2) to stabilize two four-coordinated tin(II) aminopyridinato compounds ([Sn{NPh(py)} 2 ] (3) and [Sn{N(SiMe 3)py} 2 ] (4)) (py=pyridine) through a salt elimination reaction. The reactions of 3 and 4 with elemental sulfur and selenium resulted in the formation of compounds (5-8) with Sn 2 E 2 (E = S and Se)
European Journal of Inorganic Chemistry, 2018
Dalton Transactions, 2019
We have prepared three fully supported PNP-based dimeric Au(i) complexes with intramolecular Au⋯A... more We have prepared three fully supported PNP-based dimeric Au(i) complexes with intramolecular Au⋯Au interactions and studied their photophysical properties. They exhibit various colors of emission with good quantum yields.
Chemical science, Jan 14, 2018
Previous theoretical and experimental endeavors suggested that [Cu(CH)] prefers the η/η mode over... more Previous theoretical and experimental endeavors suggested that [Cu(CH)] prefers the η/η mode over the η mode due to the augmented repulsion between the benzene ring and metal d-electrons. Nevertheless, the use of silylene as a neutral ligand has led to the isolation of the first monomeric copper cation, [{PhC(NBu)SiN(SiMe)}Cu(η-CH)][SbF] (), where a copper atom is bound to the benzene ring in an unsupported η fashion. However, the use of IPr (1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene) in place of silylene results in the formation of [IPr·Cu(η-CH)][SbF] (), where the copper atom is bound to the benzene ring in the η mode. The discrepancy in hapticities is also reflected when hexamethylbenzene is employed as the arene ring. The silylene supported copper cation continues to bind in the η mode in while the NHC copper cation displays an η bonding mode in . DFT calculations are carried out to understand how the use of silylene led to the η binding mode and why IPr afforded the η bi...
Dalton transactions (Cambridge, England : 2003), Jan 14, 2017
The [3 + 2] cycloaddition reaction of phosphanyl aminoborane [N(2,6-iPr2C6H3)(PPh2)(BCy2)] (1) wi... more The [3 + 2] cycloaddition reaction of phosphanyl aminoborane [N(2,6-iPr2C6H3)(PPh2)(BCy2)] (1) with activated alkynes led to boron and phosphorus containing five-membered heterocycles [(2,6-iPr2C6H3)NPPh2(CO2R)C-C(Cy)(CO2R)(BCy)] [R = Me (2), Et (3) and H (4)] with facile cleavage of the B-C bond and concomitant formation of a P-C bond with an ylidic character. DFT calculations indicate that 1 can be considered as a non-conjugated 1,3-dipole having two reaction centers viz., a nucleophilic P-center and an electrophilic B-center. The reaction of 1 with the alkynes proceeds through a stepwise dipolar addition mechanism, followed by the migration of the cyclohexyl group from the B-atom to the adjacent C-atom.
ChemistrySelect, 2017
The present studies deal with design and synthesis of triazole based flexible molecules, their co... more The present studies deal with design and synthesis of triazole based flexible molecules, their conformational analysis and DNA binding ability. The conformational studies were carried out in solid state through crystal structure and in gaseous state through theoretical calculation. The obtained conformations, found from either crystal structure or optimized most stable conformation from theoretical calculation have been screened for DNA binding ability to find importance of conformation in flexible organic molecules.