Single crystal growth, structural characterization, thermal and optical properties of a novel organometallic nonlinear optical crystal: MnHg(SCN)4(C2H5NO)2

X. Q. Wang, X. F. Cheng, S. J. Zhang, D. Xu, G. H. Zhang, Z. H. Sun, F. P. Yu, X. J. Liu, W. L. Liu, C. L. Chen

Research output: Contribution to journalArticlepeer-review

20 Scopus citations

Abstract

A novel potentially useful organometallic nonlinear optical crystal, manganese mercury thiocyanate-bis(N-methylformamide), MnHg(SCN)4(C2H5NO)2 (MMTN) has been prepared, and large highly-optical quality single crystals with dimensions up to 29×28×14 mm3 have been grown. The structural characterization, thermal and optical properties of the grown crystals are investigated. The growth morphology was obtained by indexing the X-ray powder diffraction data and compared with that deducing from the single crystal structure data using the Bravais-Friedel-Donnay-Harker model. The thermal analysis reveals that MMTN crystal possesses good physicochemical stability. The specific heat of the crystal is 635.1 J mol-1 K-1 at 300 K. The thermal expansion coefficient along the a, b, and c axis is α1=6.18×10-5 K-1, α2=3.91×10-5 K-1 and α3=9.53×10-6 K-1, respectively. The laser damage threshold of MMTN crystal is about 225.7 MW/cm2 with pulse width of 18 ns at 1064 nm. The powder second harmonic efficiency of the crystal is about 1.1 pm/V and the UV transparency cutoff is 354 nm, which are interpreted on the basis of the crystal structure with the Molecular Orbital theory using a GAUSSIAN03 program.

Original languageEnglish (US)
Pages (from-to)1071-1080
Number of pages10
JournalPhysica B: Condensed Matter
Volume405
Issue number4
DOIs
StatePublished - Feb 15 2010

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Electrical and Electronic Engineering

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