三[N,N-双(三甲基硅烷)胺]钕(III) | 148274-47-9

• 物质功能分类: 化学试剂 - 有机试剂 - 硅烷
• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 中文名称: 三[N,N-双(三甲基硅烷)胺]钕(III)
• 中文别名: 三[N,N-双(三甲基硅烷)胺]钕
• 英文名称: Nd[N(SiMe₃)₂]₃
• 英文别名: Tris[N,N-bis(trimethylsilyl)amide]neodymium (III)；bis(trimethylsilyl)azanide;neodymium(3+)
• CAS: 148274-47-9
• 化学式: C₁₈H₅₄N₃NdSi₆
• 分子量: 625.4
• InChiKey: LWKIKGQVWYVALF-UHFFFAOYSA-N

物化性质

• 熔点：
  156-159 °C(lit.)
• 闪点：
  36 °F
• 稳定性/保质期：

  避氧化物

计算性质

• 辛醇/水分配系数(LogP)：
  9.09
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  3
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  4.1
• 危险品标志：
  F,C
• 危险类别码：
  R11
• 危险品运输编号：
  UN 3396 4.3/PG 2
• WGK Germany：
  3
• 包装等级：
  III
• 危险类别：
  4.1
• 安全说明：
  S16
• 储存条件：
  保存方法：密封于阴凉、通风且干燥的地方。

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : Tris[N,N-bis(trimethylsilyl)amide]neodymium(III)
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No. : 148274-47-9

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SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Flammable solids (Category 1), H228
Substances, which in contact with water, emit flammable gases (Category 2), H261
Skin corrosion (Category 1B), H314
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
F, C Highly flammable, Corrosive R11, R14/15, R34
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal word Danger
Hazard statement(s)
Flammable solid.
In contact with water releases flammable gases.
Causes severe skin burns and eye damage.
Precautionary statement(s)
Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P231 + P232 Handle under inert gas. Protect from moisture.
Wear protective gloves/ protective clothing/ eye protection/ face
protection.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Immediately call a POISON CENTER or doctor/ physician.
Store contents under inert gas.
Supplemental Hazard information (EU)
Reacts violently with water.
Other hazards - none

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SECTION 3: Composition/information on ingredients
Substances
Formula : C18H54N3NdSi6
Molecular Weight : 625,39 g/mol
CAS-No. : 148274-47-9
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
Tris[N,N-bis(trimethylsilyl)amide]neodymium(III)
CAS-No. 148274-47-9 Flam. Sol. 1; Water-react. 2; <= 100 %
Skin Corr. 1B; H228, H261,
H314, EUH014
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
Tris[N,N-bis(trimethylsilyl)amide]neodymium(III)
CAS-No. 148274-47-9 F, C, R11 - R14/15 - R34 <= 100 %
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

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SECTION 4: First aid measures
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Take off contaminated clothing and shoes immediately. Wash off with soap and plenty of water. Consult a
physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Do NOT induce vomiting. Never give anything by mouth to an unconscious person. Rinse mouth with
water. Consult a physician.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available

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SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Dry powder
Special hazards arising from the substance or mixture
Carbon oxides, nitrogen oxides (NOx), silicon oxides, neodymium oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure
adequate ventilation. Remove all sources of ignition. Evacuate personnel to safe areas. Avoid breathing
dust.
For personal protection see section 8.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
Methods and materials for containment and cleaning up
Sweep up and shovel. Contain spillage, and then collect with an electrically protected vacuum cleaner or
by wet-brushing and place in container for disposal according to local regulations (see section 13). Do
not flush with water. Keep in suitable, closed containers for disposal.
Reference to other sections
For disposal see section 13.

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SECTION 7: Handling and storage
Precautions for safe handling
Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.Keep away from sources of ignition
- No smoking.Take measures to prevent the build up of electrostatic charge.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Never allow product to get in contact with water during storage.
Over time, pressure may increase causing containers to burst Handle and open container with care. Air
sensitive. Moisture sensitive.
Specific end use(s)
A part from the uses mentioned in section 1.2 no other specific uses are stipulated

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SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Face shield and safety glasses Use equipment for eye protection tested and approved under
appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, Flame retardant antistatic protective clothing, The type
of protective equipment must be selected according to the concentration and amount of the
dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face particle
respirator type N100 (US) or type P3 (EN 143) respirator cartridges as a backup to engineering
controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use
respirators and components tested and approved under appropriate government standards such
as NIOSH (US) or CEN (EU).
Control of environmental exposure
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.

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SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: solid
Colour: blue
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: 156 - 159 °C - lit.
point
f) Initial boiling point and no data available
boiling range
g) Flash point 2,2 °C - closed cup
h) Evapouration rate no data available
i) Flammability (solid, gas) The substance or mixture is a flammable solid with the category 1.
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
Reacts violently with water.
Conditions to avoid
Heat, flames and sparks. Extremes of temperature and direct sunlight. Exposure to moisture.
Incompatible materials
Reacts violently with water., Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available
In the event of fire: see section 5

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SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitisation
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: Not available
Material is extremely destructive to tissue of the mucous membranes and upper respiratory tract, eyes, and
skin., Cough, Shortness of breath, Headache, Nausea

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SECTION 12: Ecological information
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
no data available

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SECTION 13: Disposal considerations
Waste treatment methods
Product
Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting
as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal
company.
Contaminated packaging
Dispose of as unused product.

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SECTION 14: Transport information
UN number
ADR/RID: 3396 IMDG: 3396 IATA: 3396
UN proper shipping name
ADR/RID: ORGANOMETALLIC SUBSTANCE, SOLID, WATER-REACTIVE, FLAMMABLE (Tris[N,N-
bis(trimethylsilyl)amide]neodymium(III))
IMDG: ORGANOMETALLIC SUBSTANCE, SOLID, WATER-REACTIVE, FLAMMABLE (Tris[N,N-
bis(trimethylsilyl)amide]neodymium(III))
IATA: Organometallic substance, solid, water-reactive, flammable (Tris[N,N-
bis(trimethylsilyl)amide]neodymium(III))
Transport hazard class(es)
ADR/RID: 4.3 (4.1) IMDG: 4.3 (4.1) IATA: 4.3 (4.1)
Packaging group
ADR/RID: II IMDG: II IATA: II
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

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SECTION 15: Regulatory information
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  五氟苯酚 、 三[N,N-双(三甲基硅烷)胺]钕(III) 以 甲苯 为溶剂， 反应 4.0h， 以92%的产率得到Nd(pentafluorophenolate)₃
  参考文献：
  名称：

  Lanthanide pentafluorophenolates. Synthesis, structure and luminescent properties

  摘要：

  The pentafluorophenolates of lanthanides Ln(OC6F5)(3) (Ln = Nd (1), Tb (2), Er (3)) were prepared by the reactions of pentafluorophenol with appropriate silylamides Ln[N(SiMe3)(2)](3) in benzene or toluene solution. The same reactions in ether or methanol medium afforded the solvated complexes Ln(OC6F5) (3)(Et2O)(3) (Ln = Nd (4), Eu (5), Tb (6), Er (7), Gd (8)) or Nd(OC6F5)(3)(MeOH)(3) (9), respectively. The phenanthroline complexes Ln(C6F5O)(3)(phen) (Ln = Pr (10), Nd (11), Er (12)), Ln(OC6F5)(3)(phen) 2 (Ln = Sm (13), Tb (14), Ho (15), Ln(OC6F5)(3)(phen)(2)(Et2O) (Ln = Eu (16), Yb (17)), and Ln(OC6F5) 3(phen)(Et2O)(3) (Ln = Eu (18), Nd (19), Ce (20), Dy (21)), Ln(OC6F5) (3)(phen) (2)(H2O) (Ln = Sm (22), Ho (23)), and Gd(OC6F5)(3)(phen)(2)(MeOH) (24) were obtained when the reactions were carried out in the presence of 1,10-phenanthroline. The complexes with pyridine Tb(OC6F5)(3)(py) 5 (25) and 2,20-bipyridyl Ln(OC6F5)(3)(bpy)(2) (Ln = Tb (26), Yb (27)) were synthesized similarly. Compounds 7, 22, 23, and 24 were characterized by X-ray analysis. The complexes Ln(OC6F5)(3) decompose above 150 degrees C in vacuum to give lanthanide fluorides and octofluorodibenzo-p-dioxine. Phenanthroline derivatives are stable up to 310 degrees C. Luminescence spectra of all the obtained complexes in visible region contain a broad band of ligand-centered emission peaked at 405e415 nm. Spectra of samarium 13, europium 5, 16, 18 and terbium 14, 25, 26 derivatives display also the characteristic narrow bands of Sm3+, Eu3+ and Tb3+ ions. (C) 2013 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.03.052
• 作为产物：
  描述：

  三氯化钕 、 双(三甲基硅烷基)氨基钾 在 正己烷 、 乙醚 、 四氢呋喃 、 甲苯 、 sodium benzophenone ketyl 、 氩 、 二甲基亚砜 、 Calcium hydride 、 Bis(triiethylsilyl)ether 、 钾 、 氘代苯 、 THF-d8 、 氘代甲苯 、 Na—K 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 生成 三[N,N-双(三甲基硅烷)胺]钕(III)
  参考文献：
  名称：

  Polymerization catalysts containing electron-withdrawing amide ligands

  摘要：

  本发明描述了制备一系列含有胺基的有机化合物的方法，这些化合物用作第3-10族和镧系金属化合物的配体。这些配体含有与之相连的电子吸引基团。当这些金属化合物与协同催化剂结合时，它们可以作为聚烯烃的催化剂。

  公开号：

  US06335303B1

文献信息

• Synthesis and characterization of trinuclear and mononuclear rare-earth metal aryloxides supported by Salpn ligand and their application for the polymerization of rac -lactide
  作者：Chen Zhang、Weikai Gu、Yaorong Wang、Yingming Yao

  DOI：10.1016/j.poly.2017.06.006

  日期：2017.9

  metal aryloxo complexes [LRE(OAr)(HMPA)] 3 (RE = Y ( 1 ), Yb ( 2 ), Sm ( 3 )), and the mononuclear neodymium complex LNd(OAr)(HMPA) 2 ( 4 ), respectively, in good yields in the presence of HMPA (HMPA = hexamethylphosphoric triamide). Complexes 1 and 2 can also be prepared by the phenol elimination reactions of (ArO) 3 RE(THF) with LH 2 in a 1:1 M ratio or salt metathesis reaction of LLi 2 (THF) x with

  摘要合成了四种由Salpn配体负载的稀土金属配合物，并探讨了它们对rac-丙交酯（rac -LA）聚合的催化作用。Salpn配体LH 2（LH 2 =（CH 2）3 [N = CH（C 6 H 4 -2-OH）] 2）与RE [N（SiMe 3）2] 3（RE = Y ，Yb，Sm，Nd）以1：1 M的比例变化，然后具有1当量。THF中的苯酚ArOH（ArO = 2,6-But 2 -4-MEC 6 H 2 O）得到三核稀土金属芳氧基配合物[LRE（OAr）（HMPA）] 3（RE = Y（1） ，Yb（2），Sm（3））和单核钕配合物LNd（OAr）（HMPA）2（4），在HMPA（HMPA =六甲基磷酸三酰胺）的存在下，收率很高。配合物1和2也可以通过（ArO）3 RE（THF）与LH 2在1中的酚消除反应来制备：LLi 2（THF）x与无水RECl 3然后与NaOAr在THF中进行1
• Synthesis and characterization of heterobimetallic organo rare earth complexes bearing aryloxide-N-heterocyclic carbene ligands
  作者：Jingjing Zhang、Min Zhang、Tianwen Bai、Xufeng Ni、Zhiquan Shen

  DOI：10.1016/j.jorganchem.2017.04.039

  日期：2017.8

  heterobimetallic potassium-NHC rare earth complexes L1KLnN″3 and L2KLnN″3 (L1, Ln = Y (1a), Nd (1b); L2, Ln = Y (2a), Nd (2b), N″ = N(SiMe3)2) were obtained by in-situ reaction of N-heterocyclic carbene proligands H2L1 and H2L2 with Ln[N(SiMe3)2]3 and KN(SiMe3)2 in toluene. The K-NHC rare earth complexes were characterized by single-crystal X-ray crystallography and Y complexes were characterized by 1H and

  两个芳氧基取代的N-杂环卡宾（NHC）配位体3-[（（2-羟基萘）甲基] -1-mesityl-3,4,5,6-四氢嘧啶氯化物（H 2 L1）和3-（2-羟基苄基）设计了-1-甲磺酰-3,4,5,6-四氢嘧啶鎓氯化物（H 2 L2），并通过三种合成方法轻松合成了高收率。四异核钾-NHC稀土配合物L1 KLnN“ 3和L2 KLnN” 3（L1，Ln为Y（1A），钕（1B）; L2，Ln为Y（图2a），钕（图2b），N“= N （SiMe 3）2）是通过N杂环卡宾配体H 2 L1和H 2 L2与Ln [N（SiMe 3）2 ] 3和KN（SiMe 3）2在甲苯中原位反应获得的。K-NHC稀土配合物通过单晶X射线晶体学表征，Y配合物通过1 H和13 C NMR光谱表征。DFT计算被用来进一步研究这些化合物中的电荷分布和相互作用。
• Synthesis, Structure, and Magnetism of Tris(amide) [Ln{N(SiMe ₃ ) ₂ } ₃ ] ¹⁻ Complexes of the Non‐traditional +2 Lanthanide Ions
  作者：Austin J. Ryan、Lucy E. Darago、Sree Ganesh Balasubramani、Guo P. Chen、Joseph W. Ziller、Filipp Furche、Jeffrey R. Long、William J. Evans

  DOI：10.1002/chem.201800610

  日期：2018.5.28

  A new series of Ln2+ complexes has been synthesized that overturns two previous generalizations in rare‐earth metal reduction chemistry: that amide ligands do not form isolable complexes of the highly reducing non‐traditional Ln2+ ions, and that yttrium is a good model for the late lanthanides in these reductive reactions. Reduction of Ln(NR2)3 (R=SiMe3) complexes in THF under Ar with M=K or Rb in

  合成了一系列新的Ln 2+络合物，推翻了稀土金属还原化学领域的两个先前的概括：酰胺配体不会形成高度还原的非传统Ln 2+离子的可分离络合物，并且钇是一种很好的络合物。这些还原反应中晚期镧系元素的模型。在2.2.2-cryptand（crypt）的存在下，在Ar中，M = K或Rb还原THF中的Ln（NR 2）3（R = SiMe 3）配合物，形成[M（crypt）] [Ln（NR）2）3 ]不仅对传统的Tm 2+离子和构型交叉离子Nd 2+和Dy具有络合物2+，也适用于非传统的Gd 2 +，Tb 2 +，Ho 2+和Er 2+离子。晶体学数据以及UV / Vis，磁化率和密度泛函理论研究与在此三（甲硅烷基酰胺）配体环境中Ln 2+离子的4f n 5d 1构型的可及性一致。Dy的2+络合物，[K（隐窝）] [镝（NR 2）3 ]，具有比以前任何单金属配合物中观察到的更高的磁矩：11.67μ乙。
• Synthesis, X-ray structures, and characterization of hexafluoro-iso-propoxide group 3 and lanthanide precursors
  作者：Timothy J. Boyle、Michael L. Neville、Jeremiah M. Sears、Roger E. Cramer、Mark A. Rodriguez、Todd M. Alam、Samuel P. Bingham

  DOI：10.1016/j.poly.2016.07.030

  日期：2016.11

  (hfip) lanthanide complexes was synthesized from the amide-alkoxide exchange reaction of the lanthanide bis-trimethylsilyl amide dissolved in toluene and an excess amount of H-hfip. The products were isolated and identified by single crystal X-ray diffraction as: [cis-(H2O)2(hfip)2Ln(μ-hfip)]2 (Ln = Ce, Pr, Nd, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Y), [trans-(H2O)2(hfip)2Sc(μ-hfip)]2 (Sc), [(H2O)2(hfi

  摘要通过将镧系元素双三甲基甲硅烷基酰胺溶于甲苯和过量的H-hfip进行酰胺-醇盐交换反应，合成了一系列水合六氟-异丙氧基（hfip）镧系元素配合物。分离出产物，并通过单晶X射线衍射鉴定为：[cis-（H2O）2（hfip）2Ln（μ-hfip）] 2（Ln = Ce，Pr，Nd，Eu，Gd，Tb，Dy， Ho，Er，Tm，Yb，Lu，Y），[反式（（ ）2（hfip）2Sc（μ-hfip）] 2（Sc），[（ ）2（hfip）2La2（μ-hfip）3 （μ3-OH）] 2（La-OH）和[（ ）（hfip）2Sc（μ-hfip）（μ-OH）（μ3-OH）Sc（ ）（hfip）] 2（Sc-OH ）。发现所有物种均具有被认为存在于hfip中的结合的 分子。对于非氧代物种，形成具有一个桥联和两个末端hfip配体的双核物种。所有样品的水都是顺式的，但是最小的导数Sc 他们以反式排列的位置。氧自由基是由“老化的”
• Fluorinated mercaptobenzothiazolates of lanthanides: Synthesis, structure and photoluminescence
  作者：Vasily A. Ilichev、Lubov I. Blinova、Anton V. Rozhkov、Tatyana V. Balashova、Roman V. Rumyantcev、Georgy K. Fukin、Mikhail N. Bochkarev

  DOI：10.1016/j.molstruc.2017.07.035

  日期：2017.11

  Abstract In search of new fully fluorinated ligands which effectively sensitized the lanthanide luminescence the 4,5,6,7-tetrafluoro-1,3-benzothiazol-2(3Н)-thione (HmbtF) was proposed. Based on this ligand a set of new complexes LnL3(THF)2 (Ln1) (Ln = Nd, Gd, Tb, Dy, Er, Yb) was synthesized and their luminescence were studied. The structure of the compounds was established with an example of Gd derivative

  摘要 为了寻找有效敏化镧系元素发光的新型全氟化配体，提出了 4,5,6,7-四氟-1,3-苯并噻唑-2(3Н)-硫酮 (HmbtF)。基于该配体，合成了一组新的复合物 LnL3(THF)2 (Ln1)（Ln = Nd、Gd、Tb、Dy、Er、Yb）并研究了它们的发光。以Gd衍生物为例确定了化合物的结构。mbtF 的三重态能量被发现为 21500 cm-1，这使得共振能量转移到 Dy3+、Tb3+、Nd3+ 和 Er3+ 离子，并规定了一些配合物的金属中心发射。在 Yb1 的情况下，观察到的 Yb3+ 离子发光可能是由于非共振能量转移。