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 (703 Slovensko), Peter BAČÍK (703 Slovensko), Valeria BIZOVSKA (703 Slovensko), Eugen LIBOWITZKY (40 Rakousko), Radek ŠKODA (203 Česká republika, garant, domácí), Pavel UHER (703 Slovensko), Daniel OZDÍN (703 Slovensko) a Martin ŠTEVKO (703 Slovensko)

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

Kód RIV

RIV/00216224:14310/16:00093792

Organizační jednotka

Přírodovědecká fakulta

DOI

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

UT WoS

000377459600004

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

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