Vibrational spectroscopic study of SiO2-based nanotubes

Christian E. Fischer, J. Mink, László Hajba, Zoltán Bacsik, Csaba Németh, J. Mihály, Alexander Raith, Mirza Cokoja, Fritz E. Kühn

Research output: Contribution to journalArticle

11 Citations (Scopus)

Abstract

Novel organic-inorganic hybrid nanotubes containing silica and ethane (EtSNT), ethylene (ESNT) and acetylene (ASNT) units, as well as brominated ESNT (Br-ESNT) and glycine-modified Br-ESNT (Gly-ESNT) have been studied by IR and Raman spectroscopy. The results are compared with the spectral features for conventional silica nanotubes (SNT) and amorphous silica. Bands peculiar to organic moieties have been detected and assigned. Assignment of the silicate backbone vibrations was based on the results of normal coordinate calculations. Furthermore, characteristic silicate, so-called 'nanotube' vibrations have been identified and their band positions have been summarized to serve as a future reference for such compounds. SiOSi antisymmetric stretchings were observed in the range 1000-1110 cm-1, while the symmetric stretchings appeared between 760 and 960 cm-1 for EtSNT, ESNT and Br-ESNT. Force constants have been refined for models of the repeating structure units: O 3SiOSi(OSi)3 for SNT and SiCHnCH nSi(OSi)3 for organosilica nanotubes (n = 2, EtSNT; n = 1, ESNT and n = 0, ASNT). The calculated SiO stretching force constants were increased from 4.79 to 4.88 and 5.11 N cm-1 for EtSNT, ESNT and ASNT, respectively. The force constants have been compared with those for several silicates and SiO bond length are predicted and discussed.

Original languageEnglish
Pages (from-to)104-118
Number of pages15
JournalVibrational Spectroscopy
Volume66
DOIs
Publication statusPublished - 2013

Fingerprint

Nanotubes
Silicates
Silicon Dioxide
Stretching
Acetylene
Ethane
Bond length
Glycine
Raman spectroscopy
Infrared spectroscopy
ethylene

Keywords

  • Force constants
  • Infrared and Raman spectroscopy
  • Organosilica nanotubes
  • Silicate nanotube

ASJC Scopus subject areas

  • Spectroscopy

Cite this

Vibrational spectroscopic study of SiO2-based nanotubes. / Fischer, Christian E.; Mink, J.; Hajba, László; Bacsik, Zoltán; Németh, Csaba; Mihály, J.; Raith, Alexander; Cokoja, Mirza; Kühn, Fritz E.

In: Vibrational Spectroscopy, Vol. 66, 2013, p. 104-118.

Research output: Contribution to journalArticle

Fischer, CE, Mink, J, Hajba, L, Bacsik, Z, Németh, C, Mihály, J, Raith, A, Cokoja, M & Kühn, FE 2013, 'Vibrational spectroscopic study of SiO2-based nanotubes', Vibrational Spectroscopy, vol. 66, pp. 104-118. https://doi.org/10.1016/j.vibspec.2013.01.012
Fischer, Christian E. ; Mink, J. ; Hajba, László ; Bacsik, Zoltán ; Németh, Csaba ; Mihály, J. ; Raith, Alexander ; Cokoja, Mirza ; Kühn, Fritz E. / Vibrational spectroscopic study of SiO2-based nanotubes. In: Vibrational Spectroscopy. 2013 ; Vol. 66. pp. 104-118.
@article{8cc246ee312b469fbd1912d1b67702df,
title = "Vibrational spectroscopic study of SiO2-based nanotubes",
abstract = "Novel organic-inorganic hybrid nanotubes containing silica and ethane (EtSNT), ethylene (ESNT) and acetylene (ASNT) units, as well as brominated ESNT (Br-ESNT) and glycine-modified Br-ESNT (Gly-ESNT) have been studied by IR and Raman spectroscopy. The results are compared with the spectral features for conventional silica nanotubes (SNT) and amorphous silica. Bands peculiar to organic moieties have been detected and assigned. Assignment of the silicate backbone vibrations was based on the results of normal coordinate calculations. Furthermore, characteristic silicate, so-called 'nanotube' vibrations have been identified and their band positions have been summarized to serve as a future reference for such compounds. SiOSi antisymmetric stretchings were observed in the range 1000-1110 cm-1, while the symmetric stretchings appeared between 760 and 960 cm-1 for EtSNT, ESNT and Br-ESNT. Force constants have been refined for models of the repeating structure units: O 3SiOSi(OSi)3 for SNT and SiCHnCH nSi(OSi)3 for organosilica nanotubes (n = 2, EtSNT; n = 1, ESNT and n = 0, ASNT). The calculated SiO stretching force constants were increased from 4.79 to 4.88 and 5.11 N cm-1 for EtSNT, ESNT and ASNT, respectively. The force constants have been compared with those for several silicates and SiO bond length are predicted and discussed.",
keywords = "Force constants, Infrared and Raman spectroscopy, Organosilica nanotubes, Silicate nanotube",
author = "Fischer, {Christian E.} and J. Mink and L{\'a}szl{\'o} Hajba and Zolt{\'a}n Bacsik and Csaba N{\'e}meth and J. Mih{\'a}ly and Alexander Raith and Mirza Cokoja and K{\"u}hn, {Fritz E.}",
year = "2013",
doi = "10.1016/j.vibspec.2013.01.012",
language = "English",
volume = "66",
pages = "104--118",
journal = "Vibrational Spectroscopy",
issn = "0924-2031",
publisher = "Elsevier",

}

TY - JOUR

T1 - Vibrational spectroscopic study of SiO2-based nanotubes

AU - Fischer, Christian E.

AU - Mink, J.

AU - Hajba, László

AU - Bacsik, Zoltán

AU - Németh, Csaba

AU - Mihály, J.

AU - Raith, Alexander

AU - Cokoja, Mirza

AU - Kühn, Fritz E.

PY - 2013

Y1 - 2013

N2 - Novel organic-inorganic hybrid nanotubes containing silica and ethane (EtSNT), ethylene (ESNT) and acetylene (ASNT) units, as well as brominated ESNT (Br-ESNT) and glycine-modified Br-ESNT (Gly-ESNT) have been studied by IR and Raman spectroscopy. The results are compared with the spectral features for conventional silica nanotubes (SNT) and amorphous silica. Bands peculiar to organic moieties have been detected and assigned. Assignment of the silicate backbone vibrations was based on the results of normal coordinate calculations. Furthermore, characteristic silicate, so-called 'nanotube' vibrations have been identified and their band positions have been summarized to serve as a future reference for such compounds. SiOSi antisymmetric stretchings were observed in the range 1000-1110 cm-1, while the symmetric stretchings appeared between 760 and 960 cm-1 for EtSNT, ESNT and Br-ESNT. Force constants have been refined for models of the repeating structure units: O 3SiOSi(OSi)3 for SNT and SiCHnCH nSi(OSi)3 for organosilica nanotubes (n = 2, EtSNT; n = 1, ESNT and n = 0, ASNT). The calculated SiO stretching force constants were increased from 4.79 to 4.88 and 5.11 N cm-1 for EtSNT, ESNT and ASNT, respectively. The force constants have been compared with those for several silicates and SiO bond length are predicted and discussed.

AB - Novel organic-inorganic hybrid nanotubes containing silica and ethane (EtSNT), ethylene (ESNT) and acetylene (ASNT) units, as well as brominated ESNT (Br-ESNT) and glycine-modified Br-ESNT (Gly-ESNT) have been studied by IR and Raman spectroscopy. The results are compared with the spectral features for conventional silica nanotubes (SNT) and amorphous silica. Bands peculiar to organic moieties have been detected and assigned. Assignment of the silicate backbone vibrations was based on the results of normal coordinate calculations. Furthermore, characteristic silicate, so-called 'nanotube' vibrations have been identified and their band positions have been summarized to serve as a future reference for such compounds. SiOSi antisymmetric stretchings were observed in the range 1000-1110 cm-1, while the symmetric stretchings appeared between 760 and 960 cm-1 for EtSNT, ESNT and Br-ESNT. Force constants have been refined for models of the repeating structure units: O 3SiOSi(OSi)3 for SNT and SiCHnCH nSi(OSi)3 for organosilica nanotubes (n = 2, EtSNT; n = 1, ESNT and n = 0, ASNT). The calculated SiO stretching force constants were increased from 4.79 to 4.88 and 5.11 N cm-1 for EtSNT, ESNT and ASNT, respectively. The force constants have been compared with those for several silicates and SiO bond length are predicted and discussed.

KW - Force constants

KW - Infrared and Raman spectroscopy

KW - Organosilica nanotubes

KW - Silicate nanotube

UR - http://www.scopus.com/inward/record.url?scp=84875694845&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84875694845&partnerID=8YFLogxK

U2 - 10.1016/j.vibspec.2013.01.012

DO - 10.1016/j.vibspec.2013.01.012

M3 - Article

AN - SCOPUS:84875694845

VL - 66

SP - 104

EP - 118

JO - Vibrational Spectroscopy

JF - Vibrational Spectroscopy

SN - 0924-2031

ER -