Crystal structure, Hirshfeld surfaces and DFT computation of NLO active (2E)-2-(ethoxycarbonyl)-3-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino] prop-2-enoic acid

Perumal Venkatesan, Subbiah Thamotharan, Andivelu Ilangovan, Hongze Liang, Tom Sundius

Research output: Contribution to journalArticleScientificpeer-review

Original languageEnglish
JournalSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
Volume153
Pages (from-to)625-636
Number of pages12
ISSN1386-1425
DOIs
Publication statusPublished - 15 Jan 2016
MoE publication typeA1 Journal article-refereed

Fields of Science

  • Second Harmonic Generation
  • Malonic acid half-ester
  • Hirshfeld surface
  • Polarizability
  • First order hyperpolarizability
  • PIXEL
  • INTERMOLECULAR INTERACTION ENERGIES
  • DIRECT NUMERICAL-INTEGRATION
  • NONLINEAR-OPTICAL MATERIAL
  • L-PHENYLALANINE
  • SINGLE-CRYSTAL
  • VIBRATIONAL-SPECTRA
  • MOLECULAR-CRYSTALS
  • 1ST-ORDER HYPERPOLARIZABILITY
  • ELECTRON-DENSITIES
  • ORGANIC-MOLECULES
  • 114 Physical sciences

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