A Comprehensive Study on the Full Series of Alkali-Metal Selenocyanates AI[SeCN] (AI=Li−Cs)

Alena Shlyaykher; Marvin Ehmann; Antti J. Karttunen; Frank Tambornino

doi:10.1002/chem.202102058

A Comprehensive Study on the Full Series of Alkali-Metal Selenocyanates A^I[SeCN] (A^I=Li−Cs)

Alena Shlyaykher
, Marvin Ehmann
, Antti J. Karttunen
, Frank Tambornino^*

^*Tämän työn vastaava kirjoittaja

University of Marburg

Tutkimustuotos: Lehtiartikkeli › Article › Scientific › vertaisarvioitu

14 Sitaatiot (Scopus)

91 Lataukset (Pure)

Abstrakti

The full series of quasibinary alkali-metal selenocyanates was synthesized either by oxidation of the respective cyanides (A=Li−Rb) or by metathesis (A=Cs). For Li[SeCN] only ball-milling and subsequent annealing led to the isolation of the quasibinary selenocyanate. Their structures were refined from single-crystal and powder X-ray data. The respective solid-state IR and Raman spectra were interpreted with the aid of solid-state quantum-mechanical calculations and DSC-TGA measurements allowed for extraction of melting points. Only for Li[SeCN] a possible phase transition was observed that is discussed on the basis of VT-PXRD experiments. It is also the only quasibinary selenocyanate to form a hydrate (Li[SeCN] ⋅ 2H₂O).

Alkuperäiskieli	Englanti
Sivut	13552-13557
Sivumäärä	6
Julkaisu	Chemistry: A European Journal
Vuosikerta	27
Numero	54
Varhainen verkossa julkaisun päivämäärä	19 elok. 2021
DOI - pysyväislinkit	https://doi.org/10.1002/chem.202102058
Tila	Julkaistu - 24 syysk. 2021
OKM-julkaisutyyppi	A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä

Rahoitus

F.T. thanks the Fonds der Chemischen Industrie for a Liebig fellowship. F.T. thanks Prof. Dehnen for excellent support, Prof. Müller and Prof. Kraus for discussions on the crystal structures. Dr. Radostan Riedel is gratefully acknowledged for measuring the single crystal dataset of Na[SeCN]. Jonathan Pfeiffer is gratefully acknowledged for measuring the Raman data. Open access funding enabled and organized by Projekt DEAL.

Pääsy asiakirjaan

10.1002/chem.202102058Lisenssi: CC BY-NC-ND

CHEM_Shlyaykher_et_al_A_Comprehensive_Study_2021_Chemistry_A_European_JournalFinal published version, 3,21 MBLisenssi: CC BY-NC-ND

Muut tiedostot ja linkit

Linkki julkaisuun Scopuksessa

CCDC 2080510: Experimental Crystal Structure Determination
Shlyaykher, A. (Creator), Ehmann, M. (Creator), Karttunen, A. (Creator) & Tambornino, F. (Creator), Cambridge Crystallographic Data Centre , 27 huhtik. 2021
DOI - pysyväislinkki: 10.5517/ccdc.csd.cc27ty78
Tietoaineisto: Dataset
CCDC 2080515: Experimental Crystal Structure Determination
Shlyaykher, A. (Creator), Ehmann, M. (Creator), Karttunen, A. (Creator) & Tambornino, F. (Creator), Cambridge Crystallographic Data Centre , 27 huhtik. 2021
DOI - pysyväislinkki: 10.5517/ccdc.csd.cc27tydf
Tietoaineisto: Dataset
CCDC 2080516: Experimental Crystal Structure Determination
Shlyaykher, A. (Creator), Ehmann, M. (Creator), Karttunen, A. (Creator) & Tambornino, F. (Creator), Cambridge Crystallographic Data Centre , 27 huhtik. 2021
DOI - pysyväislinkki: 10.5517/ccdc.csd.cc27tyfg
Tietoaineisto: Dataset

Siteeraa tätä

@article{aa425e2bb7ca4bc3a66dabcbed64de24,

title = "A Comprehensive Study on the Full Series of Alkali-Metal Selenocyanates AI[SeCN] (AI=Li−Cs)",

abstract = "The full series of quasibinary alkali-metal selenocyanates was synthesized either by oxidation of the respective cyanides (A=Li−Rb) or by metathesis (A=Cs). For Li[SeCN] only ball-milling and subsequent annealing led to the isolation of the quasibinary selenocyanate. Their structures were refined from single-crystal and powder X-ray data. The respective solid-state IR and Raman spectra were interpreted with the aid of solid-state quantum-mechanical calculations and DSC-TGA measurements allowed for extraction of melting points. Only for Li[SeCN] a possible phase transition was observed that is discussed on the basis of VT-PXRD experiments. It is also the only quasibinary selenocyanate to form a hydrate (Li[SeCN] ⋅ 2H2O).",

keywords = "alkali-metals, crystallography, selenocyanates, solid-phase synthesis, vibrational spectroscopy",

author = "Alena Shlyaykher and Marvin Ehmann and Karttunen, \{Antti J.\} and Frank Tambornino",

note = "Funding Information: F.T. thanks the Fonds der Chemischen Industrie for a Liebig fellowship. F.T. thanks Prof. Dehnen for excellent support, Prof. M{\"u}ller and Prof. Kraus for discussions on the crystal structures. Dr. Radostan Riedel is gratefully acknowledged for measuring the single crystal dataset of Na[SeCN]. Jonathan Pfeiffer is gratefully acknowledged for measuring the Raman data. Open access funding enabled and organized by Projekt DEAL. Publisher Copyright: {\textcopyright} 2021 The Authors. Chemistry - A European Journal published by Wiley-VCH GmbH",

year = "2021",

month = sep,

day = "24",

doi = "10.1002/chem.202102058",

language = "English",

volume = "27",

pages = "13552--13557",

journal = "Chemistry: A European Journal",

issn = "0947-6539",

publisher = "Wiley",

number = "54",

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TY - JOUR

T1 - A Comprehensive Study on the Full Series of Alkali-Metal Selenocyanates AI[SeCN] (AI=Li−Cs)

AU - Shlyaykher, Alena

AU - Ehmann, Marvin

AU - Karttunen, Antti J.

AU - Tambornino, Frank

N1 - Funding Information: F.T. thanks the Fonds der Chemischen Industrie for a Liebig fellowship. F.T. thanks Prof. Dehnen for excellent support, Prof. Müller and Prof. Kraus for discussions on the crystal structures. Dr. Radostan Riedel is gratefully acknowledged for measuring the single crystal dataset of Na[SeCN]. Jonathan Pfeiffer is gratefully acknowledged for measuring the Raman data. Open access funding enabled and organized by Projekt DEAL. Publisher Copyright: © 2021 The Authors. Chemistry - A European Journal published by Wiley-VCH GmbH

PY - 2021/9/24

Y1 - 2021/9/24

N2 - The full series of quasibinary alkali-metal selenocyanates was synthesized either by oxidation of the respective cyanides (A=Li−Rb) or by metathesis (A=Cs). For Li[SeCN] only ball-milling and subsequent annealing led to the isolation of the quasibinary selenocyanate. Their structures were refined from single-crystal and powder X-ray data. The respective solid-state IR and Raman spectra were interpreted with the aid of solid-state quantum-mechanical calculations and DSC-TGA measurements allowed for extraction of melting points. Only for Li[SeCN] a possible phase transition was observed that is discussed on the basis of VT-PXRD experiments. It is also the only quasibinary selenocyanate to form a hydrate (Li[SeCN] ⋅ 2H2O).

AB - The full series of quasibinary alkali-metal selenocyanates was synthesized either by oxidation of the respective cyanides (A=Li−Rb) or by metathesis (A=Cs). For Li[SeCN] only ball-milling and subsequent annealing led to the isolation of the quasibinary selenocyanate. Their structures were refined from single-crystal and powder X-ray data. The respective solid-state IR and Raman spectra were interpreted with the aid of solid-state quantum-mechanical calculations and DSC-TGA measurements allowed for extraction of melting points. Only for Li[SeCN] a possible phase transition was observed that is discussed on the basis of VT-PXRD experiments. It is also the only quasibinary selenocyanate to form a hydrate (Li[SeCN] ⋅ 2H2O).

KW - alkali-metals

KW - crystallography

KW - selenocyanates

KW - solid-phase synthesis

KW - vibrational spectroscopy

UR - https://www.scopus.com/pages/publications/85112775162

U2 - 10.1002/chem.202102058

DO - 10.1002/chem.202102058

M3 - Article

AN - SCOPUS:85112775162

SN - 0947-6539

VL - 27

SP - 13552

EP - 13557

JO - Chemistry: A European Journal

JF - Chemistry: A European Journal

IS - 54

ER -

A Comprehensive Study on the Full Series of Alkali-Metal Selenocyanates AI[SeCN] (AI=Li−Cs)

Abstrakti

Rahoitus

Pääsy asiakirjaan

Muut tiedostot ja linkit

Sormenjälki

Tietoaineistot

CCDC 2080510: Experimental Crystal Structure Determination

CCDC 2080515: Experimental Crystal Structure Determination

CCDC 2080516: Experimental Crystal Structure Determination

Siteeraa tätä

A Comprehensive Study on the Full Series of Alkali-Metal Selenocyanates A^I[SeCN] (A^I=Li−Cs)