A5067380080- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Boron Compounds in Chemistry
- Boron and Carbon Nanomaterials Research
- Organoboron and organosilicon chemistry
- Organometallic Complex Synthesis and Catalysis
- Synthesis and characterization of novel inorganic/organometallic compounds
- Crystallography and molecular interactions
- Advanced Chemical Physics Studies
- Fullerene Chemistry and Applications
- Asymmetric Hydrogenation and Catalysis
- Inorganic Fluorides and Related Compounds
- Inorganic Chemistry and Materials
- Synthesis and Properties of Aromatic Compounds
- Coordination Chemistry and Organometallics
- Inorganic and Organometallic Chemistry
- Hydrogen Storage and Materials
- Radiopharmaceutical Chemistry and Applications
- Graphene research and applications
- Molecular spectroscopy and chirality
- Organic Chemistry Cycloaddition Reactions
- Cyclopropane Reaction Mechanisms
- Molecular Junctions and Nanostructures
- MXene and MAX Phase Materials
- Ferrocene Chemistry and Applications
Indian Institute of Science Bangalore
2015-2024
Harvard University Press
2019-2024
Bangalore University
2014-2019
Indian Institute of Science Education and Research Pune
2015-2018
Indian Institute of Science Education and Research Thiruvananthapuram
2005-2015
University of Rostock
2003-2012
Indian Institute of Technology Kharagpur
2009-2012
Leibniz Institute for Catalysis
2007-2012
University of Sussex
2011
Indian Institute of Technology Guwahati
2011
We provide a simple explanation for X−H bond contraction and the associated blue shift decrease of intensity in IR spectrum so-called improper hydrogen bonds. This organizes bonds (HBs) with seemingly random relationship between length (and frequency its intensity) to interaction energy. The factors which affect all X−H···Y HBs can be divided into two parts: (a) electron affinity X causes net gain density at region presence Y encourages an contraction. (b) well understood attractive positive...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTStabilization of planar tetracoordinate carbonJohn B. Collins, James D. Dill, Eluvathingal Jemmis, Yitzhak Apeloig, Paul v. R. Schleyer, Rolf Seeger, and John A. PopleCite this: J. Am. Chem. Soc. 1976, 98, 18, 5419–5427Publication Date (Print):September 1, 1976Publication History Published online1 May 2002Published inissue 1 September 1976https://doi.org/10.1021/ja00434a001RIGHTS & PERMISSIONSArticle Views975Altmetric-Citations369LEARN ABOUT THESE...
Nanomaterials with enzyme-like activity (nanozymes) attract significant interest owing to their applications in biomedical research. Particularly, redox nanozymes that exhibit glutathione peroxidase (GPx)-like play important roles cellular signaling by controlling the hydrogen peroxide (H2 O2 ) level. Herein we report, for first time, properties and GPx-like of V2 O5 nanozyme depends not only on size morphology, but also crystal facets exposed surface within same system nanomaterials. These...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTAromaticity in three dimensions. 4. Influence of orbital compatibility on the geometry and stability capped annulene rings with six interstitial electronsEluvathingal D. Jemmis Paul von Rague SchleyerCite this: J. Am. Chem. Soc. 1982, 104, 18, 4781–4788Publication Date (Print):September 1, 1982Publication History Published online1 May 2002Published inissue 1 September...
A generally applicable electron-counting rule-the mno rule-that integrates macropolyhedral boranes, metallaboranes, and metallocenes any combination thereof is presented. According to this rule, m + n o number of electron pairs are necessary for a system be stable. Here, the polyhedra, vertices, single-vertex-sharing condensations. For nido arachno arrangements, one two additional electrons required. Wade's 1 rule special case where = 0. B20H16, example has 2 20, leading 22 pairs. Ferrocene,...
First-principles electronic structure calculations show that boron clusters ${\mathrm{B}}_{98}$, ${\mathrm{B}}_{99}$, ${\mathrm{B}}_{100}$, ${\mathrm{B}}_{101}$, and ${\mathrm{B}}_{102}$ based on icosahedral-${\mathrm{B}}_{12}$ stuffed fullerenes are more stable than the fullerenelike clusters. These structures envisaged as an icosahedral ${\mathrm{B}}_{12}$ each vertex of which is connected to apex a pentagonal pyramid (${\mathrm{B}}_{6}$) via radial $2c\mathrm{\text{\ensuremath{-}}}2e$...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTOverlap control and stability of polyhedral molecules. closo-CarboranesEluvathingal D. JemmisCite this: J. Am. Chem. Soc. 1982, 104, 25, 7017–7020Publication Date (Print):December 1, 1982Publication History Published online1 May 2002Published inissue 1 December 1982https://pubs.acs.org/doi/10.1021/ja00389a021https://doi.org/10.1021/ja00389a021research-articleACS PublicationsRequest reuse permissionsArticle Views868Altmetric-Citations142LEARN ABOUT...
Gallic acid (GA), a key intermediate in the synthesis of plant hydrolysable tannins, is also primary anti-inflammatory, cardio-protective agent found wine, tea, and cocoa. In this publication, we reveal identity gene encoded protein essential for GA synthesis. Although it has long been recognized that plants, bacteria, fungi synthesize accumulate GA, pathway leading to its was largely unknown. Here provide evidence shikimate dehydrogenase (SDH), enzyme aromatic amino synthesis, required...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTDo anomeric effects involving the second-row substituents, chlorine, mercapto, and phosphino exist? Stabilization energies structural preferencesPaul v. R. Schleyer, Eluvathingal D. Jemmis, Guenther W. SpitznagelCite this: J. Am. Chem. Soc. 1985, 107, 22, 6393–6394Publication Date (Print):October 1, 1985Publication History Published online1 May 2002Published inissue 1 October...
A systematic estimation of aromaticity in X(3)Y(3)H(6), 1, (X = B, Al, Ga; Y N, P, As), P(3)N(3)H(6), 2, and X(3)Z(3)H(3), 3 (Z O, S, Se), has been conducted using structural, energetic, magnetic criteria. Estimates based on aromatic stabilization energy (ASE) calculations predict that 1BN (1; X N) 1BP are equally aromatic. Contrary to this, we have found, from susceptibility exaltation (MSE) the nucleus independent chemical shift (NICS) data at B3LYP/6-31G level, is not while is. This...
The variations in aromaticity, stability, and reactivity among benzene, cyclobutadiene, their BN analogues are analyzed using ab initio MO density functional theory calculations on protonated methylated species.
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTUnusual metal-carbon-hydrogen angles, carbon-hydrogen bond activation, and .alpha.-hydrogen abstraction in transition-metal carbene complexesRichard J. Goddard, Roald Hoffmann, Eluvathingal D. JemmisCite this: Am. Chem. Soc. 1980, 102, 26, 7667–7676Publication Date (Print):December 1, 1980Publication History Published online1 May 2002Published inissue 1 December...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTCp2M2(CO)4 - quadruply bridging, doubly semibridging, or nonbridging?Eluvathingal D. Jemmis, Allan R. Pinhas, and Roald HoffmannCite this: J. Am. Chem. Soc. 1980, 102, 8, 2576–2585Publication Date (Print):April 1, 1980Publication History Published online1 May 2002Published inissue 1 April 1980https://pubs.acs.org/doi/10.1021/ja00528a010https://doi.org/10.1021/ja00528a010research-articleACS PublicationsRequest reuse permissionsArticle...
Abstract Nanomaterials with enzyme‐like activity (nanozymes) attract significant interest owing to their applications in biomedical research. Particularly, redox nanozymes that exhibit glutathione peroxidase (GPx)‐like play important roles cellular signaling by controlling the hydrogen peroxide (H 2 O ) level. Herein we report, for first time, properties and GPx‐like of V 5 nanozyme depends not only on size morphology, but also crystal facets exposed surface within same system nanomaterials....
Conspectus Transition metals help to stabilize highly strained organic fragments. Metallacycles, especially unsaturated ones, provide much variety in this area. We had a sustained interest understanding new C-C bond formation reactions affected by binuclear transition metal fragments Cp2M. One such study led the exploration of bimetallic cleavage and coupled complexes, where acetylide ligands bridge two atoms. The underlying M-C interaction these complexes inspired synthesis five-membered...
The structural connections between the compounds of boron and carbon are extended using mno rule beyond borane−carbocation continuum, lithium boride−polycarbyne analogy, magnesium boride (MgB2)−graphite equivalence to β-rhombohedral fullerenes. similarity pentagonal pyramidal C6H62+ MgB4 is established. An interesting electronic relationship B84 fragment fulleride anion, C6012-, derived by replacing 12 B64- units isoelectronic C5- removing central B12 from electron-deficient unit. This well...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTInvestigation of intramolecular interactions in n-alkanes. Cooperative energy increments associated with GG and GTG' [G = gauche, T trans] sequencesSeiji Tsuzuki, Lothar Schafer, Hitoshi Goto, Eluvathingal D. Jemmis, Haruo Hosoya, Khamis Siam, Kazutoshi Tanabe, Eiji OsawaCite this: J. Am. Chem. Soc. 1991, 113, 12, 4665–4671Publication Date (Print):June 1, 1991Publication History Published online1 May 2002Published inissue 1 June...
The reaction of the low-valent metallocene(II) sources Cp2Ti(η2-Me3SiC2SiMe3) (7) and Cp2Zr(py)(η2-Me3SiC2SiMe3) (11, Cp = η5-cyclopentadienyl, py pyridine) with carbodiimides RN═C═NR (R Cy, i-Pr, p-Tol) leads to formation five membered hetero-metallacycloallenes Cp2M{Me3SiC═C═C[N(SiMe3)(R)]−N(R)} (9M-R) (M Ti, R i-Pr; M Zr, p-Tol). Elimination alkyne (as hitherto known reactivity titanocene zirconocene complexes would suggest) was not observed. molecular structures obtained were confirmed...
Iron(III) complexes [FeL(B)] (1−5) of a tetradentate trianionic phenolate-based ligand (L) and modified dipyridophenazine bases (B), namely, dipyrido-6,7,8,9-tetrahydrophenazine (dpqC in 1), dipyrido[3,2-a:2′,3′-c]phenazine-2-carboxylic acid (dppzc 2), dipyrido[3,2-a:2′,3′-c]phenazine-11-sulfonic (dppzs 3), 7-aminodipyrido[3,2-a:2′,3′-c]phenazine (dppza 4) benzo[i]dipyrido[3,2-a:2′,3′-c]phenazine (dppn 5), have been synthesized their photocytotoxic properties studied along with analogue (6)....
Ligand bite angle, a common parameter to fine-tune reactivity in transition-metal chemistry, is used for the first time main-group chemistry control and tune Lewis acidity organobismuth cations bearing 2-[(dimethylamino)methyl]phenyl (Me2NCH2C6H4) 2-(dimethylamino)phenyl (Me2NC6H4) ligands. The latter chelating ligand induces shorter C-Bi-N leading weaker Bi-N bond with corresponding lower σ*-acceptor orbital hence exhibiting remarkably higher acidity. Gutmann-Beckett method successfully...
The reaction of [(Cp*Mo)2 (μ-Cl)2 B2 H6 ] (1) with CO at room temperature led to the formation highly fluxional species [{Cp*Mo(CO)2 }2 {μ-η2 :η2 -B2 H4 }] (2). Compound 2, best our knowledge, is first example a bimetallic diborane(4) conforming singly bridged Cs structure. Theoretical studies show that 2 mimics Cotton dimolybdenum-alkyne complex [{CpMo(CO)2 C2 H2 ]. In an attempt replace two hydrogen atoms in 2e [W(CO)4 fragment, W(CO)4 (3) was isolated upon treatment [W(CO)5 ⋅thf]. 3 shows...