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Detailed molecular structure (XRD), conformational search, spectroscopic characterization (IR, Raman, UV, fluorescence), quantum mechanical properties and bioactivity prediction of a pyrrole analogue

Authors
  • Srikanth, Katta Eswar1
  • Veeraiah, A.1
  • Pooventhiran, T.2
  • Thomas, Renjith2
  • Solomon, K. Anand3
  • Soma Raju, Ch.J.1
  • Latha, J. Naveena Lavanya4
  • 1 Molecular Spectroscopy Laboratory, Department of Physics, D.N.R.College (A), Bhimavaram, A.P., 534202, India
  • 2 Department of Chemistry, St Berchmans College (Autonomous), Changanassery, Kerala, India
  • 3 Department of Chemistry, School of Engineering, Dayananda Sagar University, Bangalore, India
  • 4 Department of Biosciences and Biotechnology, Krishna University, Machilipatnam, A.P., India
Type
Published Article
Journal
Heliyon
Publisher
Elsevier
Publication Date
Jun 03, 2020
Volume
6
Issue
6
Identifiers
DOI: 10.1016/j.heliyon.2020.e04106
PMID: 32529077
PMCID: PMC7276443
Source
PubMed Central
Keywords
License
Unknown

Abstract

Organic chemistry, Theoretical chemistry, Pharmaceutical chemistry, 1-(2-Aminophenyl) pyrrole(2APP), XRD, FT-IR, Fluorescence, UV-VIS, DFT.

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