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.

Základní údaje

Originální název

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

Autoři

FRIDRICHOVÁ, Jana; Peter BAČÍK; Valeria BIZOVSKA; Eugen LIBOWITZKY; Radek ŠKODA; Pavel UHER; Daniel OZDÍN a Martin ŠTEVKO

Vydání

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

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Obor

10500 1.5. Earth and related environmental sciences

Stát vydavatele

Spojené státy

Utajení

není předmětem státního či obchodního tajemství

Impakt faktor

Impact factor: 1.521

Označené pro přenos do RIV

Ano

Kód RIV

RIV/00216224:14310/16:00093792

Organizační jednotka

Přírodovědecká fakulta

Klíčová slova anglicky

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

Štítky

AKR, rivok

Změněno: 13. 4. 2017 22:45, Ing. Andrea Mikešková

Anotace

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.

Návaznosti

MUNI/A/1316/2015, interní kód MU

Název: Geologické, geodynamické a environmentální procesy východního okraje Českého masívu (Akronym: Geodyn)

Investor: Masarykova univerzita, Geologické, geodynamické a environmentální procesy východního okraje Českého masívu, DO R. 2020_Kategorie A - Specifický výzkum - Studentské výzkumné projekty

Citovat

FRIDRICHOVÁ, Jana; Peter BAČÍK; Valeria BIZOVSKA; Eugen LIBOWITZKY; Radek ŠKODA; Pavel UHER; Daniel OZDÍN a Martin ŠTEVKO. Spectroscopic and bond-topological investigation of interstitial volatiles in beryl from Slovakia. Physics and Chemistry of Minerals. NEW YORK: SPRINGER, 2016, roč. 43, č. 6, s. 419-437. ISSN 0342-1791. Dostupné z: https://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 = {https://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 a Martin ŠTEVKO. Spectroscopic and bond-topological investigation of interstitial volatiles in beryl from Slovakia. \textit{Physics and Chemistry of Minerals}. NEW YORK: SPRINGER, 2016, roč.~43, č.~6, s.~419-437. ISSN~0342-1791. Dostupné z: https://doi.org/10.1007/s00269-016-0806-9.

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