Evidence map›Paper›PMID 41462501›Full record

ArticleScientific reports2025

Correlation between structural features and optoelectronic properties in superhalogen doped hexaazakekulenes.

Naveen Kosar, Tariq Mahmood, Sumayya M Ansari, Mazhar Amjad Gilani, Muhammad Ajmal, Mohammed Salim Akhter, Muhammad Imran, Adnan Younis

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Article in Scientific reports, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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1 · What the graph read from it

What it found

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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

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Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

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0 citing papers in PubMed.

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4 · The record

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5 · Who and what money

Authors and funding

8 authors.

Naveen KosarDepartment of Chemistry, University of Management and Technology (UMT), Johar Town, Lahore, C-11, Pakistan. naveen.kosar@umt.edu.pk.
Tariq MahmoodDepartment of Chemistry, College of Science, University of Bahrain, Sakhir, 32038, Bahrain. mahmood@cuiatd.edu.pk.
Sumayya M AnsariDepartment of Physics, United Arab Emirates University, P.O. Box 15551, Al Ain, United Arab Emirates.
Mazhar Amjad GilaniDepartment of Chemistry, COMSATS University Islamabad, Lahore Campus, Lahore, Pakistan.
Muhammad AjmalDepartment of Civil Engineering, University of Bahrain, P.O. Box 32038, Sakhir, Bahrain.
Mohammed Salim AkhterDepartment of Chemistry, College of Science, University of Bahrain, Sakhir, 32038, Bahrain.
Muhammad ImranResearch Center for Advanced Materials Science (RCAMS), Chemistry Department, Faculty of Science, King Khalid University, P.O. Box 9004, Abha, 61413, Saudi Arabia.
Adnan YounisDepartment of Physics, United Arab Emirates University, P.O. Box 15551, Al Ain, United Arab Emirates. adnaanyounis@yahoo.com.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Superhalogens, owing to their higher electron affinities than conventional halogens, possess exceptional electron-accepting capabilities, making them attractive candidates for tuning nonlinear optical (NLO) properties. In this study, we systematically investigated the NLO behavior of superhalogen-doped hexaazakekulene (M1) macrocycles using density functional theory (DFT) through both static and dynamic hyperpolarizability analyses. The electronic and thermodynamic stabilities of the doped systems are evaluated via interaction energies (E

Indexed as

Frequency dependent hyperpolarizabilityHexaazakekuleneNLOSuperhalogenTwo level model

Identifiers

PMID41462501
PMCPMC12749994

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.