High-pressure phase transitions in tetrakis(trimethylsilyl)silane Si[Si(CH3)(3)](4)
(2003) In High Pressure Research 23(4). p.425-437- Abstract
- The compound tetrakis(trimethylsilyl)silane S-i[Si(CH3,)(3)](4) (TSi) has been studied at room temperature for pressures up to 2 1.5(1) GPa, using X-ray powder diffraction with synchrotron radiation. Three different phases are reported in the investigated pressure range. The c.c.p.-type structure is stable up to a pressure of 0.19(1) GPa (Fm (3) over barm, a = 13.52110)Angstrom, V = 2471.95(1)Angstrom(3), Z = 4 at 0.02(1)GPa). It shows a severe orientational disorder of the molecules. At pressures 0.19(1)-0.71(1)GPa a monoclinic phase (HP1) is found with space group P2(1)/n and Z=8 (a = 17.746(1)Angstrom, b = 16.098(1)Angstrom, c= 16.871(1)Angstrom, gamma = 111.437(5)degrees and V = 4486.3(8) Angstrom(3) at 0.24(1)GPa). Another monoclinic... (More)
- The compound tetrakis(trimethylsilyl)silane S-i[Si(CH3,)(3)](4) (TSi) has been studied at room temperature for pressures up to 2 1.5(1) GPa, using X-ray powder diffraction with synchrotron radiation. Three different phases are reported in the investigated pressure range. The c.c.p.-type structure is stable up to a pressure of 0.19(1) GPa (Fm (3) over barm, a = 13.52110)Angstrom, V = 2471.95(1)Angstrom(3), Z = 4 at 0.02(1)GPa). It shows a severe orientational disorder of the molecules. At pressures 0.19(1)-0.71(1)GPa a monoclinic phase (HP1) is found with space group P2(1)/n and Z=8 (a = 17.746(1)Angstrom, b = 16.098(1)Angstrom, c= 16.871(1)Angstrom, gamma = 111.437(5)degrees and V = 4486.3(8) Angstrom(3) at 0.24(1)GPa). Another monoclinic phase (HP2) exists at pressures 0.52(1)-8.67(5)GPa. This phase has a smaller unit cell than the HP1 phase with Z(.)=2 (a =8.3778(8)Angstrom, b=9.1050(7)Angstrom, c= 13.3024(8)Angstrom, gamma= 111.63(1)degrees and V = 943.22(6) Angstrom(3) at 1.73(2)GPa). The pressure dependencies of the unit-cell volumes are successfully described by Mumaghan or Vinet-type equations of state. The structures at different pressures and temperatures of TSi and related compounds are described as distorted superstructures of the c.c.p. arrangement. The occurrence of different superstructures is rationalized as the result of an optimized packing of ordered molecules of various shapes. (Less)
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https://lup.lub.lu.se/record/289737
- author
- Wunschel, M ; Dinnebier, RE ; Carlson, Stefan LU and Van Smaalen, S
- organization
- publishing date
- 2003
- type
- Contribution to journal
- publication status
- published
- subject
- keywords
- molecular crystal, diffraction, X-ray powder, tetrakis(trimethylsilyl)silane, high-pressure, rotator phase, plastic crystal
- in
- High Pressure Research
- volume
- 23
- issue
- 4
- pages
- 425 - 437
- publisher
- Taylor & Francis
- external identifiers
-
- wos:000188212800006
- scopus:2542486397
- ISSN
- 1477-2299
- DOI
- 10.1080/0895795031000114377
- language
- English
- LU publication?
- yes
- additional info
- The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Inorganic chemistry (ceased) (LUR000010), Max-laboratory (011012005)
- id
- ad1e87e6-2917-48d8-ac37-bd54eb925747 (old id 289737)
- date added to LUP
- 2016-04-01 12:34:55
- date last changed
- 2022-02-19 00:27:33
@article{ad1e87e6-2917-48d8-ac37-bd54eb925747,
abstract = {{The compound tetrakis(trimethylsilyl)silane S-i[Si(CH3,)(3)](4) (TSi) has been studied at room temperature for pressures up to 2 1.5(1) GPa, using X-ray powder diffraction with synchrotron radiation. Three different phases are reported in the investigated pressure range. The c.c.p.-type structure is stable up to a pressure of 0.19(1) GPa (Fm (3) over barm, a = 13.52110)Angstrom, V = 2471.95(1)Angstrom(3), Z = 4 at 0.02(1)GPa). It shows a severe orientational disorder of the molecules. At pressures 0.19(1)-0.71(1)GPa a monoclinic phase (HP1) is found with space group P2(1)/n and Z=8 (a = 17.746(1)Angstrom, b = 16.098(1)Angstrom, c= 16.871(1)Angstrom, gamma = 111.437(5)degrees and V = 4486.3(8) Angstrom(3) at 0.24(1)GPa). Another monoclinic phase (HP2) exists at pressures 0.52(1)-8.67(5)GPa. This phase has a smaller unit cell than the HP1 phase with Z(.)=2 (a =8.3778(8)Angstrom, b=9.1050(7)Angstrom, c= 13.3024(8)Angstrom, gamma= 111.63(1)degrees and V = 943.22(6) Angstrom(3) at 1.73(2)GPa). The pressure dependencies of the unit-cell volumes are successfully described by Mumaghan or Vinet-type equations of state. The structures at different pressures and temperatures of TSi and related compounds are described as distorted superstructures of the c.c.p. arrangement. The occurrence of different superstructures is rationalized as the result of an optimized packing of ordered molecules of various shapes.}},
author = {{Wunschel, M and Dinnebier, RE and Carlson, Stefan and Van Smaalen, S}},
issn = {{1477-2299}},
keywords = {{molecular crystal; diffraction; X-ray powder; tetrakis(trimethylsilyl)silane; high-pressure; rotator phase; plastic crystal}},
language = {{eng}},
number = {{4}},
pages = {{425--437}},
publisher = {{Taylor & Francis}},
series = {{High Pressure Research}},
title = {{High-pressure phase transitions in tetrakis(trimethylsilyl)silane Si[Si(CH3)(3)](4)}},
url = {{http://dx.doi.org/10.1080/0895795031000114377}},
doi = {{10.1080/0895795031000114377}},
volume = {{23}},
year = {{2003}},
}