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

doi:10.1016/j.physb.2009.10.057

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

Materials Research Institute (MRI)

Research output: Contribution to journal › Article › peer-review

33 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 language	English (US)
Pages (from-to)	1071-1080
Number of pages	10
Journal	Physica B: Condensed Matter
Volume	405
Issue number	4
DOIs	https://doi.org/10.1016/j.physb.2009.10.057
State	Published - 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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10.1016/j.physb.2009.10.057

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Wang, X. Q., Cheng, X. F., Zhang, S. J., Xu, D., Zhang, G. H., Sun, Z. H., Yu, F. P., Liu, X. J., Liu, W. L., & Chen, C. L. (2010). Single crystal growth, structural characterization, thermal and optical properties of a novel organometallic nonlinear optical crystal: MnHg(SCN)₄(C₂H₅NO)₂. Physica B: Condensed Matter, 405(4), 1071-1080. https://doi.org/10.1016/j.physb.2009.10.057

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

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.",

author = "Wang, {X. Q.} and Cheng, {X. F.} and Zhang, {S. J.} and D. Xu and Zhang, {G. H.} and Sun, {Z. H.} and Yu, {F. P.} and Liu, {X. J.} and Liu, {W. L.} and Chen, {C. L.}",

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doi = "10.1016/j.physb.2009.10.057",

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AU - Wang, X. Q.

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AU - Zhang, S. J.

AU - Xu, D.

AU - Zhang, G. H.

AU - Sun, Z. H.

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AB - 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.

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

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