Tejendra Banana

Substitution-Dependent Two-Photon Photophysics of Boranil Complexes: A Computational Study toward Photodynamic Therapy

Neelam Chandravanshi, Tejendra Banana, Samarth Razdan, Miss Avantika et autres

Boron complexes derived from aniline-imine or salicylaldimine ligands (Boranils) exhibit attractive photophysical characteristics, including strong absorption, dual-state emission, and synthetic accessibility. Despite these advantages, their potential as two-photon (TP) photosensitizers for photodynamic therapy (TP-PDT) remains largely unexplored, and the role of the …

in (code pays fourni par la source)

Synergistic Experimental‐Cum‐Theoretical Investigation of Supramolecular Interactions in a Novel Binuclear Cu(II) Complex

Tejendra Banana, Ritwik Modak, Arnold L. Rheingold, Saugata Konar et autres

ABSTRACT This work presents a comprehensive experimental and computational investigation of the Cu(II)‐MPCMA complex (where MPCMA = methyl 5‐methylpyrazole‐3‐carboxylate) CCDC: 869805, focusing on its crystal structure, intermolecular interactions, and surface characteristics. The binuclear coordination compound [Cu 2 (MPCMA) 2 Cl 2 ] …

in, us (code pays fourni par la source)

A systematic study of absorption, spin–orbit coupling and the rate of intersystem crossing in pristine and donor–acceptor substituted phosphahelicenes as a function of the position of the phosphole ring

Miss Avantika, Tejendra Banana, Neelam Chandravanshi, Samarth Razdan et autres

) of pristine and donor-acceptor substituted phosphahelicenes. Three pristine phosphahelicenes with varying positions of the phosphole ring, along with their donor-acceptor substituted derivatives, are designed and studied in the vacuum phase and in four different solvents using state-of-the-art TD-DFT methods. For reference, …

in (code pays fourni par la source)

Molecular engineering of antiaromatic orangarin-based sensitizers for high-performance dye-sensitized solar-cell applications

Swati Singh Rajput, Samarth Razdan, Tejendra Banana, Neelam Chandravanshi et autres

An antiaromatic metal-free molecule is explored for DSSC applications. We consider the antiaromatic orangarin core and load it with different donor and acceptor moieties at rationally chosen places that can enhance the absorption of sunlight.

in (code pays fourni par la source)

Architecting hybrid chromophores for enhanced two photon absorption response: Synergistic integration of BODIPY–squaraine–benzimidazole

Tejendra Banana, Neelam Chandravanshi, Avantika, Md. Mehboob Alam

We propose a unique fusion of three two-photon (TP) active chromophores, namely BODIPY, squaraine, and benzimidazole, for engineering an efficient non-linear optical material. Furthermore, to fine-tune their TP activity, we functionalized the fused molecule with six different polar substitutions and studied the …

in (code pays fourni par la source)

Stepwise Photoreactions and Photosalient Effects in Isostructural Donor–Acceptor Molecular Complexes with Tunable Optical Properties

Aditya Choudhury, Tejendra Banana, Pyarija S. Lal, David S. Hughes et autres

In the rapidly evolving field of molecular design, donor-acceptor complexes have garnered significant attention due to their unique optical, electronic, and photoreactive properties. This study explores the synthesis of donor-acceptor molecular complexes using electron-deficient tetrafluoroterephthalate and four electron-rich 4-vinylpyridine derivatives. Due to …

in, gb (code pays fourni par la source)

Author response for "Designing Expanded and Contracted Porphyrin-Azulene based Photosensitizers for Photodynamic Therapy"

Swati Singh Rajput, Samarth Razdan, Tejendra Banana, Neelam Chandravanshi et autres

Author response for "Designing Expanded and Contracted Porphyrin-Azulene based Photosensitizers for Photodynamic Therapy"

Swati Singh Rajput, Samarth Razdan, Tejendra Banana, Neelam Chandravanshi et autres

Effect of Iodine, and Polar Group Substitutions at α,β,$$ \alpha, \beta, $$ and meso$$ meso $$‐Positions on Some Photophysical Properties of BODIPY‐Based Photosensitizers Relevant to Photodynamic Therapy

Neelam Chandravanshi, Tejendra Banana, Samarth Razdan, Swati Singh Rajput et autres

ABSTRACT BODIPY‐based photosensitizers are well‐known for their two‐photon (TP) activity. The BODIPY core can be substituted at three distinct positions: , , and . Current literature suggests that substitutions at the position are the most commonly preferred due to their labile nature, …

in (code pays fourni par la source)

Author response for "Designing Expanded and Contracted Porphyrin-Azulene based Photosensitizers for Photodynamic Therapy"

Swati Singh Rajput, Samarth Razdan, Tejendra Banana, Neelam Chandravanshi et autres

Exploring the effect of squaraine infusion on the two-photon absorption cross-section of a few functionalized BODIPY-like systems

Tejendra Banana, Swati Singh Rajput, Neelam Chandravanshi, Md. Mehboob Alam

). Utilizing state-of-the-art quadratic response theory (RI-CC2), we systematically examined how these fusion strategies and polar substitutions modulate their optical properties. Our findings indicate that these structural modifications effectively tune both the linear and nonlinear optical properties. Notably, a substantial enhancement in …

in (code pays fourni par la source)

Designing expanded and contracted porphyrin–azulene based photosensitizers for photodynamic therapy

Swati Singh Rajput, Samarth Razdan, Tejendra Banana, Neelam Chandravanshi et autres

Investigation of photophysical properties and interaction with human serum albumin protein of ten metal-free porphyrinoid–azulene based systems as photosensitizers for application in photodynamic therapy.

in (code pays fourni par la source)