A5071358146- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Synthesis and characterization of novel inorganic/organometallic compounds
- N-Heterocyclic Carbenes in Organic and Inorganic Chemistry
- Organometallic Complex Synthesis and Catalysis
- Supramolecular Chemistry and Complexes
- Advanced Physical and Chemical Molecular Interactions
- DNA and Nucleic Acid Chemistry
- Coordination Chemistry and Organometallics
- Advanced Chemical Physics Studies
- History and advancements in chemistry
- Catalytic Cross-Coupling Reactions
- Porphyrin and Phthalocyanine Chemistry
- Organoboron and organosilicon chemistry
- Fluorine in Organic Chemistry
- Chemical Reaction Mechanisms
- Surface Chemistry and Catalysis
- Crystallography and molecular interactions
- Computational Drug Discovery Methods
- Cyclopropane Reaction Mechanisms
International Institute of Information Technology, Hyderabad
2019-2020
Government College Kodanchery
2020
National Institute of Technology Calicut
2012-2016
Cr(i)Cl is a very unstable species. The present work describes the stabilisation of in low coordinate environment cyclic alkyl(amino) carbene ligands and its synthetic application to yield an unprecedented cationic complex with two Cr(i). One electron reduction (cAAC)2CrCl2 (1) equivalent amount KC8 results formation (cAAC)2CrCl (2), distorted trigonal planar configuration at metal centre. SQUID, EPR theoretical studies reveal Cr(i) centre S = 5/2 spin ground state for 2. It represents first...
Abstract Crystallographic studies of the fluorinated tetraarylporphyrin 5,10,15,20‐tetrakis(2′,3′,5′,6′‐tetrafluoro‐ N , ‐dimethyl‐4‐anilinyl)porphyrin and its metal complexes [MTF 4 DMAP; M = 2H · 2 O, 1 ; Ni II THF, Cu 5H 3 Zn (THF) THF tetrahydrofuran] are reported. To analyse weak intermolecular interactions, we have used a combination energy decomposition analysis Hirshfeld surface analysis, which allowed us to elucidate nature various close contacts. The shows that dispersive...
The EDA-NOCV analysis shows that the singlet 2-adamantylidene is a foiled-type carbene stabilized by hyperconjugative interaction of one pair vicinal C–C σ-MOs with empty p-orbital on carbon atom. high proton affinity and hydride indicate ambiphilic nature 2-adamantylidene.
Electronic structure of the six-membered N-heterocyclic carbene, silylene, germylene, and stannylene having an exocyclic double bond at C3 carbon atom as well relative reactivity lone-pair on divalent group 14 element have been studied BP86 level theory with a TZVPP basis set. The geometrical parameters, NICS values, NBO population analysis indicate that these molecules can be best described localized 1Xa, where trans-butadiene (C1–C2–C3–C4) unit is connected diaminocarbene (N1–X–N2) via...
First examples of racemization tetrahedral tetracoordinated centers <italic>via</italic> a planar transition state or an intermediate structure.
Abstract In our previous communication we have reported the isolation and reactivity of heteroleptic three coordinated silylene, LSi(2,6‐ i Pr 2 C 6 H 3 NPPh ) [L= PhC(N t Bu) ] ( ). Here report analogous germylene stannylene, LGe(2,6‐ LSn(2,6‐ 7 from reaction 2,6‐ N(Li)PPh 1 with LGeCl 4 LSnCl 5 ), respectively. Both compounds are characterized by multinuclear NMR spectroscopy, EI‐mass spectrometry, single crystal X‐ray diffraction studies. The comparison molecular orbitals electrostatic...
<bold>Too heavy to bend:</bold> The Cieplak-type hyperconjugative interaction mainly contributes the stability of <bold>2C</bold> and <bold>2Si</bold> whereas inertness lone pairs is major factor for <bold>2Ge</bold> <bold>2Sn</bold>. These molecules (<bold>2X</bold>; X = C–Sn) can be classified as a class ambiphilic compounds.
We for the first time shown that transition between (R) and (S) stereoisomers via a planar state or an intermediate structure without having to break bond is possible. Rigorous theoretical calculations have been used study this novel phenomenon characterize energetic, structure, dynamic kinetic properties.
We for the first time shown that transition between (R) and (S) stereoisomers via a planar state or an intermediate structure without having to break bond is possible. Rigorous theoretical calculations have been used study this novel phenomenon characterize energetic, structure, dynamic kinetic properties.
We for the first time shown that transition between (R) and (S) stereoisomers via a planar state or an intermediate structure without having to break bond is possible. Rigorous theoretical calculations have been used study this novel phenomenon characterize energetic, structure, dynamic kinetic properties.