Browsing by Author "Suresh, C H"

1,3-Metal-carbon bonding predicts rich chemistry at the edges of aromatic hydrocarbons

Suresh, C H; Frenking, G (American Chemical Society, 2013)

The existence of a hitherto unrecognized 1,3-metal-carbon bond (1,3-MC bond) in particular types of transition-metal complexes is proposed using evidence from CCD X-ray structure analysis and DFT calculations. The name ...

1,3-Metal−carbon bonding and alkyne metathesis: DFT investigations on model complexes of group 4, 5, and 6 transition metals

Suresh, C H; Frenking, G (American Chemical Society, 2012-10-22)

The formation of metallacyclobutadienes (MCBs from chloro-ligated alkylidyne complexes of group 4, 5, and 6 transition metals (MCln(C3H3)) has been studied at the BP86/ def2-TZVPP level. All the MCBs showed M−Cβ distances ...

1,3-Phenyl linked urea-based receptors for anions and the facile cyclization to imidazolidinedione

Haridas, V; Sandhya, S; Geeta, H; Suresh, C H (Elsevier, 2012-10-10)

Amino acid-based molecules containing a bis-urea moiety have been synthesized and demonstrated for their anion binding affinities. Compound 1c binds phosphate and sulfate with binding constants of 3.6 103 M 1 and 4.3 ...

2-Thia-1,3,5-triaza-7-phosphaadamantane-2,2-dioxide revisited: Computational and experimental studies of a neglected phosphine

Sternberg, M; Suresh, C H; Mohr, F (American Chemical Society, 2010)

The cage-phosphine 2-thia-1,3,5-triaza-7-phosphaadamantane-2,2-dioxide (PASO(2)) was reacted with various transition metal precursors to give the complexes cis-[Mo(CO)(4)(PASO(2))(2)], [AuCl(PASO(2))] cis-[PtCl(2)(PASO(2))(2)], ...

22 pi smaragdyrin molecular conjugates with aromatic phenylacetylenes and ferrocenes: Syntheses, electrochemical, and photonic properties

Misra, R; Kumar, R; Chandrashekar, T K; Suresh, C H; Nag, A; Goswami, D (American Chemical Society, 2006)

Syntheses, spectroscopic, electrochemical, and third-order nonlinear optical susceptibilities of a series of 22 pi smaragdyrins and their corresponding Rh(I) derivatives bearing phenylacetylene substituents and ...

28π Non‐Fused Hexaphyrin: Synthesis, Protonation Triggered Möbius Aromaticity and Structural Properties

Dash, S; Ghosh, A; Bandyopadhyay, S; Kalita, P; Vishwakarma, R; Srinivasan, A; Suresh, C H; Chandrashekar, T K (Wiley Online, 2023-10-16)

Synthesis of core-modified 28π non-fused hexaphyrin is reported. The optical and 1H NMR spectral analysis reveals the non-aromatic nature of the macrocycle in its freebase form at 298 K. However, the non-aromatic nature ...

[40]π Fused and Nonfused Core-Modified Nonaphyrins: Syntheses and Structural Diversity

Ghosh, A; Srinivasan, A; Suresh, C H; Chandrashekar, T K (Wiley, 2016-08-01)

The synthesis of fused and nonfused core-modified 40π nonaphyrins are reported. Spectroscopic and X-ray structural studies reveal a twisted figure-eight conformation in the freebase form that is nonaromatic. Structural ...

5, 5-Diaryldipyrromethanes: syntheses and anion binding properties

Gowri Sreedevi, K C; Ajesh P Thomas; Salini, P S; Ramakrishnan, S; Anju, K S; Holaday, M G D; Reddy, M L P; Suresh, C H; Srinivasan, A (Elsevier, 2011)

A two-step synthesis of 5, 5-diaryldipyrromethanes in good yields is described. The adopted synthetic strategy can be used to tune the substituent at the meso-carbon very easily by choosing the Grignard reagent of interest. ...

5,5-Diaryldipyrromethanes: Syntheses and Anion Binding Properties

Sreedevi, K C G; Thomas, A P; Salini, P S; Ramakrishnan, S; Anju, K S; Holaday, M G D; Reddy, M L P; Suresh, C H; Srinivasan, A (Elsevier, 2011-11-09)

A two-step synthesis of 5,5-diaryldipyrromethanes in good yields is described. The adopted synthetic strategy can be used to tune the substituent at the meso-carbon very easily by choosing the Grignard reagent of interest. ...

[6+3] cycloaddition of pentafulvenes with 3-oxidopyrylium betaine: a novel methodology toward the synthesis of 5-8 fused oxabridged cyclooctanoids

Syam Krishnan, K; Sajisha, V S; Anas, S; Suresh, C H; Bhadbhade, M M; Bhosekar, G V; Radhakrishnan, K V (Elsevier, 2006)

Pentafulvenes undergo a facile [6+3] cycloaddition with 3-oxidopyrylium betaine, generated from the corresponding pyranulose acetate, leading to the formation of 5-8 fused oxabridged cyclooctanoids. The product is formed ...

A 6,11,16-Triarylbiphenylcorrole with an adj-CCNN Core: Stabilization of an Organocopper(III) Complex

Adinarayana, B; Thomas, A P; Suresh, C H; Srinivasan, A (Wiley, 2015-09-01)

An adj-dicarbacorrole with CCNN in the core is achieved by replacing the bipyrrole moiety by a simple polycyclic aromatic hydrocarbon, such as biphenyl unit. Spectroscopic studies and structural analyzes confirm the absence ...

Absorption and Emission Properties of 5-phenyl Tris(8-hydroxyquinolinato) M(Iii) Complexes (M = Al, Ga, in) and Correlations With Molecular Electrostatic Potential

Anjali, B A; Suresh, C H (Wiley, 2020-06-15)

Substituent effect for a series of 5-phenyl tris(8-hydroxyquinolinato) M(III) complexes (Mq3) of aluminum, gallium, and indium are investigated using density functional theory (DFT) for the ground state properties and the ...

Accurate binding energies of hydrogen, halogen, and dihydrogen bonded complexes and cation enhanced binding strengths

Neetha Mohan; Suresh, C H (Wiley-Blackwell, 2014)

Interaction energy (E-int) values of a variety of hydrogen, halogen, and dihydrogen bonded complexes in the weak, medium, and strong regimes have been computed using W1BD, MP2, M06L density functional theory, and hybrid ...

Accurate prediction of cation−π interaction energy using substituent effects

Sayyed, F B; Suresh, C H (American Chemical Society, 2012-06)

Substituent effects on cation−π interactions have been quantified using a variety of Φ−X···M+ complexes where Φ,X, and M+ are the π-system, substituent, and cation, respectively.The cation−π interaction energy, EM+, showed ...

Alpha,beta-(C-C-C) agostic bonds in transition metal based olefin metathesis catalyses

Suresh, C H; Baik, M-H (The Royal Society of Chemistry, 2005)

An alpha,beta-(C - C - C) agostic bond is found to provide the additional stabilization needed to make the formally 14-electron metallacyclobutane intermediate lower in energy than its 16-electron alkylidene analogue during ...

Ammonia Borane Clusters: Energetics of Dihydrogen Bonding, Cooperativity, and the Role of Electrostatics

Vijayalakshmi, K P; Suresh, C H (American Chemical Society, 2017-03-20)

Cluster formation of ammonia borane (NH3BH3) driven by noncovalent H···H dihydrogen interaction is investigated at the M06L/6-311+G(d,p) level of density functional theory. For clusters containing up to six monomers, ladder, ...

Analysis of structural water and CH···π interactions in HIV-1 protease and PTP1B complexes using a hydrogen bond prediction tool, HBPredicT

Yesudas, J P; Sayyed, F B; Suresh, C H (Springer, 2011)

A hydrogen bond prediction tool HBPredicT is developed for detecting structural water molecules and CH center dot center dot center dot pi interactions in PDB files of protein-ligand complexes. The program adds the missing ...

Anion receptors based on highly fluorinated aromatic scaffolds

Neetha Mohan; Suresh, C H (American Chemical Society, 2014)

Mono-, di-, and tri-pentafluorobenzyl-substituted hexafluorobenzene (HFB) scaffolds, viz., R-I, R-II, and R-III are proposed as promising receptors for molecules of chemical, biological, and environmental relevance, viz., ...

Anion-encapsulating fullerenes behave as large anions: a DFT study

Davis Dellaab, Therese; Suresh, C H (The Royal Society of Chemistry, 2018-09-01)

M06L/6-311++G(d,p)//M06L/6-31G(d,p) level density functional theory studies show that the endohedral reaction of C60 with X (X = F, Cl, Br, OH, NH2, NO2, CN, and ClO) is exothermic by 37.8–65.2 kcal mol 1. The exothermic ...

Antiaromaticity–Aromaticity Interplay in Fused Benzenoid Systems Using Molecular Electrostatic Potential Topology

Anjalikrishna, P K; Gadre, S R; Suresh, C H (American Chemical Society, 2021-07-15)

The phenomenon of antiaromaticity–aromaticity interplay in aromatic–antiaromatic (A–aA)-fused systems is studied using molecular electrostatic potential (MESP) analysis, which clearly brings out the electron-rich π-regions ...

Browsing by Author "Suresh, C H"

Browsing by Author "Suresh, C H"

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