Spectroscopic and bond-topological investigation of
interstitial volatiles in beryl from Slovakia

J 2016

Spectroscopic and bond-topological investigation of interstitial volatiles in beryl from Slovakia

FRIDRICHOVÁ, Jana, Peter BAČÍK, Valeria BIZOVSKA, Eugen LIBOWITZKY, Radek ŠKODA et. al.

Basic information

Original name

Spectroscopic and bond-topological investigation of interstitial volatiles in beryl from Slovakia

Authors

FRIDRICHOVÁ, Jana (703 Slovakia), Peter BAČÍK (703 Slovakia), Valeria BIZOVSKA (703 Slovakia), Eugen LIBOWITZKY (40 Austria), Radek ŠKODA (203 Czech Republic, guarantor, belonging to the institution), Pavel UHER (703 Slovakia), Daniel OZDÍN (703 Slovakia) and Martin ŠTEVKO (703 Slovakia)

Edition

Physics and Chemistry of Minerals, NEW YORK, SPRINGER, 2016, 0342-1791

Other information

Language

English

Type of outcome

Článek v odborném periodiku

Field of Study

10500 1.5. Earth and related environmental sciences

Country of publisher

United States of America

Confidentiality degree

není předmětem státního či obchodního tajemství

Impact factor

Impact factor: 1.521

RIV identification code

RIV/00216224:14310/16:00093792

Organization unit

Faculty of Science

DOI

http://dx.doi.org/10.1007/s00269-016-0806-9

UT WoS

000377459600004

Keywords in English

Beryl; Infrared spectroscopy; Raman spectroscopy; Thermal analysis; Bond topology

Abstract

V originále

Nine beryl samples from Western Carpathians, Slovakia, were investigated by infrared and Raman spectroscopy and differential thermal analysis. Two types of water H2O I and H2O II were detected. Infrared spectroscopy proved the presence of water type I and II in the presence of alkali cations with several bands: (1) symmetric stretching vibration-nu(1); (2) antisymmetric stretching mode-nu(3); (3) bending vibration-nu(2). The presence of singly and doubly coordinated type II water (IIs and IId) was confirmed by single-crystal IR spectroscopy. From Raman spectra a band at 3606 cm(-1) was assigned to nu(1) of water type I and the range of 3597-3600 cm(-1) to water type II. The presence of doubly coordinating water indicates a relatively highly hydrated environment with the presence of alkali ions including Na as the dominant cation coordinated by H2O II. CO2 bands were detected only by single-crystal IR spectroscopy. Thermal analysis proved total water loss in the range of 1.4-2.0 wt% and three main dehydration events. Based on the study of bond-topological arrangements two molecules of H2O IId are each bound with two H center dot center dot center dot O1 bonds and one Na-O-W bond with an angular distortion, and by releasing one H2O molecule more stable H2O IIs is produced. The H2O I molecule is bound only by two equivalent hydrogen bonds. The H2O IIs molecule with a Na-O-W bond strength of 0.28 vu and two H center dot center dot center dot O1 bonds of 0.14 vu without any forced angular distortion is the most stable of all.

Links

MUNI/A/1316/2015, interní kód MU

Name: Geologické, geodynamické a environmentální procesy východního okraje Českého masívu (Acronym: Geodyn)

Investor: Masaryk University, Category A

Citovat

FRIDRICHOVÁ, Jana, Peter BAČÍK, Valeria BIZOVSKA, Eugen LIBOWITZKY, Radek ŠKODA, Pavel UHER, Daniel OZDÍN and Martin ŠTEVKO. Spectroscopic and bond-topological investigation of interstitial volatiles in beryl from Slovakia. Physics and Chemistry of Minerals. NEW YORK: SPRINGER, 2016, vol. 43, No 6, p. 419-437. ISSN 0342-1791. Available from: https://dx.doi.org/10.1007/s00269-016-0806-9.

@article{1374378,
   author = {Fridrichová, Jana and Bačík, Peter and Bizovska, Valeria and Libowitzky, Eugen and Škoda, Radek and Uher, Pavel and Ozdín, Daniel and Števko, Martin},
   article_location = {NEW YORK},
   article_number = {6},
   doi = {http://dx.doi.org/10.1007/s00269-016-0806-9},
   keywords = {Beryl; Infrared spectroscopy; Raman spectroscopy; Thermal analysis; Bond topology},
   language = {eng},
   issn = {0342-1791},
   journal = {Physics and Chemistry of Minerals},
   title = {Spectroscopic and bond-topological investigation of interstitial volatiles in beryl from Slovakia},
   volume = {43},
   year = {2016}
}

TY  - JOUR
ID  - 1374378
AU  - Fridrichová, Jana - Bačík, Peter - Bizovska, Valeria - Libowitzky, Eugen - Škoda, Radek - Uher, Pavel - Ozdín, Daniel - Števko, Martin
PY  - 2016
TI  - Spectroscopic and bond-topological investigation of interstitial volatiles in beryl from Slovakia
JF  - Physics and Chemistry of Minerals
VL  - 43
IS  - 6
SP  - 419-437
EP  - 419-437
PB  - SPRINGER
SN  - 03421791
KW  - Beryl
KW  - Infrared spectroscopy
KW  - Raman spectroscopy
KW  - Thermal analysis
KW  - Bond topology
N2  - Nine beryl samples from Western Carpathians, Slovakia, were investigated by infrared and Raman spectroscopy and differential thermal analysis. Two types of water H2O I and H2O II were detected. Infrared spectroscopy proved the presence of water type I and II in the presence of alkali cations with several bands: (1) symmetric stretching vibration-nu(1); (2) antisymmetric stretching mode-nu(3); (3) bending vibration-nu(2). The presence of singly and doubly coordinated type II water (IIs and IId) was confirmed by single-crystal IR spectroscopy. From Raman spectra a band at 3606 cm(-1) was assigned to nu(1) of water type I and the range of 3597-3600 cm(-1) to water type II. The presence of doubly coordinating water indicates a relatively highly hydrated environment with the presence of alkali ions including Na as the dominant cation coordinated by H2O II. CO2 bands were detected only by single-crystal IR spectroscopy. Thermal analysis proved total water loss in the range of 1.4-2.0 wt% and three main dehydration events. Based on the study of bond-topological arrangements two molecules of H2O IId are each bound with two H center dot center dot center dot O1 bonds and one Na-O-W bond with an angular distortion, and by releasing one H2O molecule more stable H2O IIs is produced. The H2O I molecule is bound only by two equivalent hydrogen bonds. The H2O IIs molecule with a Na-O-W bond strength of 0.28 vu and two H center dot center dot center dot O1 bonds of 0.14 vu without any forced angular distortion is the most stable of all.
ER  -

FRIDRICHOVÁ, Jana, Peter BAČÍK, Valeria BIZOVSKA, Eugen LIBOWITZKY, Radek ŠKODA, Pavel UHER, Daniel OZDÍN and Martin ŠTEVKO. Spectroscopic and bond-topological investigation of interstitial volatiles in beryl from Slovakia. \textit{Physics and Chemistry of Minerals}. NEW YORK: SPRINGER, 2016, vol.~43, No~6, p.~419-437. ISSN~0342-1791. Available from: https://dx.doi.org/10.1007/s00269-016-0806-9.

Detailed Information on Publication Record