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Browsing by Author "Jomon Mathew"

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Assessment of stereoelectronic effects in grubbs first-generation olefin metathesis catalysis using molecular electrostatic potential

Jomon Mathew; Suresh, C H (American Chemical Society, 2011)

Quantum mechanically derived molecular electrostatic potential (MESP) based descriptors have been proposed for the assessment of both the steric and electronic effects of phosphines in several first-generation Grubbs olefin ...
Assessment of steric and electronic effects of n-heterocyclic carbenes in grubbs olefin metathesis using molecular electrostatic potential

Jomon Mathew; Suresh, C H (American Chemical Society, 2011)

The steric and electronic effects of N-heterocyclic carbenes in the second-generation Grubbs olefin metathesis catalysts are quantified on the basis of molecular electrostatic potential at the carbene carbon of both the ...
C-H bond activation through sigma-bond metathesis and agostic interactions: Deactivation pathway of a Grubbs second-generation catalyst

Jomon Mathew; Koga, N; Suresh, C H (American Chemical Society, 2008)

A mechanistic study has been carried out to explore the structural and energetic features leading to the decomposition pathways of a Grubbs second-generation olefin metathesis catalyst using density functional theory. The ...
Heteroaromatic donors in donor–acceptor–donor based fluorophores facilitate zinc ion sensing and cell imaging

Sreejith, S; Divya, K P; Jayamurthy, P; Jomon Mathew; Anupama, V N; Divya, S P; Anees, P; Ajayaghosh, A (Royal Society of Chemistry, 2012)

The excited state intra molecular charge transfer (ICT) property of fluorophores has been extensively used for the design of fluorescent chemosensors. Herein, we report the synthesis and properties of three donor–π-acce ...
Quantitative assessment of the stereoelectronic profile of phosphine ligands

Jomon Mathew; Tinto Thomas; Suresh, C H (American Chemical Society, 2007)

The stereoelectronic profile of a variety of phosphine ligands (PR3) have been estimated using a combined approach of quantum mechanics (QM) and molecular mechanics (MM). The quantum mechanically derived molecular electrostatic ...
Quantum mechanical assessment of stereoelectronic profile of phosphines and N-heterocyclic carbenes and applications in grubbs olefin metathesis catalysis

Jomon Mathew (Computational Modeling and Simulation Section, Process Engineering and Environmental Technology Division, National Institute for Interdisciplinary Science and Technology(CSIR), Thiruvananthapuram., 2011)
A Three-Photon Active Organic Fluorophore for Deep Tissue Ratiometric Imaging of Intracellular Divalent Zinc

Divya Susan, Philips; Sreejith, S; Tingchao He; Menon, N V; Palapuravan, Anees; Jomon Mathew; Sreedharan, SajikumarX; Yuejun Kang; Mihaiela Corina, Stuparu; Handong Sun; Yanli Zhao; Ajayaghosh, A (wiley, 2016-05-20)

Deep tissue bioimaging with three-photon (3P) excitation using near-infrared (NIR) light in the second IR window (1.0–1.4 mm) could provide high resolution images with an improved signal-to-noise ratio. Herein, we report ...
Use of molecular electrostatic potential at the carbene carbon as a simple and efficient electronic parameter of N-heterocyclic carbenes

Jomon Mathew; Suresh, C H (American Chemical Society, 2010)

Topographical analysis of the molecular electrostatic potential (MESP) has been carried out for a variety of N-heterocyclic carbenes at the B3LYP, BP86, and M05 levels of density functional theory (DFT) using a 6-311++G** ...

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