(CH<sub>5</sub>N<sub>3</sub>S)<sub>2</sub>Pb<sub>5</sub>Br<sub>10</sub> and (CH<sub>5</sub>N<sub>3</sub>S)Pb<sub>2</sub>Br<sub>4</sub>: Two Nonlinear Optical Lead Thiosemicarbazide Bromides with Diverse Pb-Centered Building Units

It is of great significance to explore new nonlinear optical (NLO) materials for the development of modern laser testing technology. In this paper, two non-centrosymmetric organic-inorganic hybrid Pb-based bromides, (CH<sub>5</sub>N<sub>3</sub>S)<sub>2</sub>Pb<sub>5</sub>Br<sub>10</sub> and (CH<sub>5</sub>N<sub>3</sub>S)Pb<sub>2</sub>Br<sub>4</sub>, were synthesized by a simple hydrothermal method. They crystallize in the <i>Fdd</i>2 and <i>P</i>2<sub>1</sub>2<sub>1</sub>2<sub>1</sub> space groups, respectively. Both (CH<sub>5</sub>N<sub>3</sub>S)<sub>2</sub>Pb<sub>5</sub>Br<sub>10</sub> and (CH<sub>5</sub>N<sub>3</sub>S)Pb<sub>2</sub>Br<sub>4</sub> are three-dimensional structures formed by interconnecting Pb<sub>5</sub>(CH<sub>5</sub>N<sub>3</sub>S)<sub>2</sub>Br<sub>12</sub> or Pb<sub>4</sub>(CH<sub>5</sub>N<sub>3</sub>S)<sub>4</sub>Br<sub>9</sub> units. Notably, the structure units of PbBr<sub>3</sub>S, Pb<sub>2</sub>Br<sub>7</sub>, Pb<sub>2</sub>Br<sub>5</sub>N<sub>2</sub>S<sub>2</sub>, and PbBr<sub>3</sub>NS appear for the first time in thiourea compounds. (CH<sub>5</sub>N<sub>3</sub>S)<sub>2</sub>Pb<sub>5</sub>Br<sub>10</sub> exhibits 0.6 times the second harmonic generation (SHG) effect of KH<sub>2</sub>PO<sub>4</sub>. After changing the coordination of organic and inorganic parts, (CH<sub>5</sub>N<sub>3</sub>S)Pb<sub>2</sub>Br<sub>4</sub> shows the SHG effect of 1.02 times that of KH<sub>2</sub>PO<sub>4</sub>. Analysis of structures, NLO properties, thermal analyses, and theoretical calculations are presented in this work.

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Publication Details

Journal
Inorganic Chemistry
Published
2025-05-20
DOI
https://doi.org/10.1021/acs.inorgchem.5c01582
Citations
8
Primary Topic
Crystal Structures and Properties
Type
article
Field-Weighted Citation Impact
3.42

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article

(CH5N3S)2Pb5Br10 and (CH5N3S)Pb2Br4: Two Nonlinear Optical Lead Thiosemicarbazide Bromides with Diverse Pb-Centered Building Units

Ru‐Ling Tang, Yi‐Lei Lv, Cheng Chen, Wenlong Liu et al.
8 citations
Inorganic Chemistry
Crystal Structures and Properties
3.42
article

(CH5N3S)2Pb5Br10 and (CH5N3S)Pb2Br4: Two Nonlinear Optical Lead Thiosemicarbazide Bromides with Diverse Pb-Centered Building Units

Ru‐Ling Tang, Yi‐Lei Lv, Cheng Chen, Wenlong Liu, Yue‐Qi Wei, Bing‐Wei Miao
article en
8 citations

Abstract

It is of great significance to explore new nonlinear optical (NLO) materials for the development of modern laser testing technology. In this paper, two non-centrosymmetric organic-inorganic hybrid Pb-based bromides, (CH<sub>5</sub>N<sub>3</sub>S)<sub>2</sub>Pb<sub>5</sub>Br<sub>10</sub> and (CH<sub>5</sub>N<sub>3</sub>S)Pb<sub>2</sub>Br<sub>4</sub>, were synthesized by a simple hydrothermal method. They crystallize in the <i>Fdd</i>2 and <i>P</i>2<sub>1</sub>2<sub>1</sub>2<sub>1</sub> space groups, respectively. Both (CH<sub>5</sub>N<sub>3</sub>S)<sub>2</sub>Pb<sub>5</sub>Br<sub>10</sub> and (CH<sub>5</sub>N<sub>3</sub>S)Pb<sub>2</sub>Br<sub>4</sub> are three-dimensional structures formed by interconnecting Pb<sub>5</sub>(CH<sub>5</sub>N<sub>3</sub>S)<sub>2</sub>Br<sub>12</sub> or Pb<sub>4</sub>(CH<sub>5</sub>N<sub>3</sub>S)<sub>4</sub>Br<sub>9</sub> units. Notably, the structure units of PbBr<sub>3</sub>S, Pb<sub>2</sub>Br<sub>7</sub>, Pb<sub>2</sub>Br<sub>5</sub>N<sub>2</sub>S<sub>2</sub>, and PbBr<sub>3</sub>NS appear for the first time in thiourea compounds. (CH<sub>5</sub>N<sub>3</sub>S)<sub>2</sub>Pb<sub>5</sub>Br<sub>10</sub> exhibits 0.6 times the second harmonic generation (SHG) effect of KH<sub>2</sub>PO<sub>4</sub>. After changing the coordination of organic and inorganic parts, (CH<sub>5</sub>N<sub>3</sub>S)Pb<sub>2</sub>Br<sub>4</sub> shows the SHG effect of 1.02 times that of KH<sub>2</sub>PO<sub>4</sub>. Analysis of structures, NLO properties, thermal analyses, and theoretical calculations are presented in this work.

Inorganic ChemistryVol. 64(21)
Yangzhou University (CN)
National Natural Science Foundation of China, Yangzhou University
Sustainable cities and communities
Openalex Percentile: Top 7%
Crystal Structures and Properties
3.42
DOISourceOpenAlex
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