Reactions of [SiF4(NH3)2] with Fluorides AF (A = Li-Cs, Tl, NH4) in Liquid NH3: A [NH4(NH3)2]+ Cation and a Thallophilic Interaction in [Tl2(NH3)6]2+

Stefan S. Rudel; Tim Graubner; Antti J. Karttunen; Stefanie Dehnen; Florian Kraus

doi:10.1021/acs.inorgchem.1c02532

Reactions of [SiF₄(NH₃)₂] with Fluorides AF (A = Li-Cs, Tl, NH₄) in Liquid NH_3:A [NH₄(NH₃)₂]⁺Cation and a Thallophilic Interaction in [Tl₂(NH₃)₆]²⁺

Stefan S. Rudel
, Tim Graubner
, Antti J. Karttunen
, Stefanie Dehnen
, Florian Kraus^*

^*Tämän työn vastaava kirjoittaja

University of Marburg

Tutkimustuotos: Lehtiartikkeli › Article › Scientific › vertaisarvioitu

2 Sitaatiot (Scopus)

136 Lataukset (Pure)

Abstrakti

We investigated whether [SiF₄(NH₃)₂] can act as a fluoride-ion acceptor in its reactions with the fluorides AF (A = Li-Cs, Tl, NH₄) in anhydrous liquid ammonia (NH₃). While LiF and NaF did not react, we obtained the compounds K[SiF₅(NH₃)], Rb[SiF₅(NH₃)], and Cs[SiF₅(NH₃)], as well as [NH₄(NH₃)₂]₂[SiF₆] and [Tl₂(NH₃)₆][SiF₆]·2NH₃, from the other starting materials and characterized them by either single-crystal or powder X-ray diffraction. The compound [NH₄(NH₃)₂]₂[SiF₆] contains the very rarely observed hydrogen-bonded, C₂_v-symmetric diammine ammonium cation [NH₄(NH₃)₂]⁺, and the compound [Tl₂(NH₃)₆][SiF₆]·2NH₃ is an example for an uncommon Tl(I)-Tl(I) interaction. This "thallophilic" interaction was investigated with quantum-chemical methods.

Alkuperäiskieli	Englanti
Sivut	15031–15040
Sivumäärä	10
Julkaisu	Inorganic Chemistry
Vuosikerta	60
Numero	19
Varhainen verkossa julkaisun päivämäärä	16 syysk. 2021
DOI - pysyväislinkit	https://doi.org/10.1021/acs.inorgchem.1c02532
Tila	Julkaistu - 4 lokak. 2021
OKM-julkaisutyyppi	A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä

Pääsy asiakirjaan

10.1021/acs.inorgchem.1c02532

CHEM_Rudel_et_al_Reactions_of_SiF4NH32_2021_Inorganic_ChemistryAccepted author manuscript, 1,79 MBLisenssi: Määrittelemätön

Muut tiedostot ja linkit

Linkki julkaisuun Scopuksessa

CSD 2079396: Experimental Crystal Structure Determination
Rudel, S. S. (Creator), Graubner, T. (Creator), Karttunen, A. (Creator), Dehnen, S. (Creator) & Kraus, F. (Creator), Cambridge Crystallographic Data Centre , 22 huhtik. 2021
DOI - pysyväislinkki: 10.25505/fiz.icsd.cc27ss94
Tietoaineisto: Dataset
CSD 2079397: Experimental Crystal Structure Determination
Rudel, S. S. (Creator), Graubner, T. (Creator), Karttunen, A. (Creator), Dehnen, S. (Creator) & Kraus, F. (Creator), Cambridge Crystallographic Data Centre , 22 huhtik. 2021
DOI - pysyväislinkki: 10.25505/fiz.icsd.cc27ssb5
Tietoaineisto: Dataset
CCDC 2079398: Experimental Crystal Structure Determination
Rudel, S. S. (Creator), Graubner, T. (Creator), Karttunen, A. (Creator), Dehnen, S. (Creator) & Kraus, F. (Creator), Cambridge Crystallographic Data Centre , 22 huhtik. 2021
DOI - pysyväislinkki: 10.5517/ccdc.csd.cc27ssc6
Tietoaineisto: Dataset

Siteeraa tätä

@article{0e97f88a930c47d3b6303dd4dff8aff7,

title = "Reactions of [SiF4(NH3)2] with Fluorides AF (A = Li-Cs, Tl, NH4) in Liquid NH3: A [NH4(NH3)2]+ Cation and a Thallophilic Interaction in [Tl2(NH3)6]2+",

abstract = "We investigated whether [SiF4(NH3)2] can act as a fluoride-ion acceptor in its reactions with the fluorides AF (A = Li-Cs, Tl, NH4) in anhydrous liquid ammonia (NH3). While LiF and NaF did not react, we obtained the compounds K[SiF5(NH3)], Rb[SiF5(NH3)], and Cs[SiF5(NH3)], as well as [NH4(NH3)2]2[SiF6] and [Tl2(NH3)6][SiF6]·2NH3, from the other starting materials and characterized them by either single-crystal or powder X-ray diffraction. The compound [NH4(NH3)2]2[SiF6] contains the very rarely observed hydrogen-bonded, C2v-symmetric diammine ammonium cation [NH4(NH3)2]+, and the compound [Tl2(NH3)6][SiF6]·2NH3 is an example for an uncommon Tl(I)-Tl(I) interaction. This {"}thallophilic{"} interaction was investigated with quantum-chemical methods.",

author = "Rudel, \{Stefan S.\} and Tim Graubner and Karttunen, \{Antti J.\} and Stefanie Dehnen and Florian Kraus",

note = "Publisher Copyright: {\textcopyright} 2021 American Chemical Society.",

year = "2021",

month = oct,

day = "4",

doi = "10.1021/acs.inorgchem.1c02532",

language = "English",

volume = "60",

pages = "15031–15040",

journal = "Inorganic Chemistry",

issn = "0020-1669",

publisher = "American Chemical Society",

number = "19",

}

Reactions of [SiF₄(NH₃)₂] with Fluorides AF (A = Li-Cs, Tl, NH₄) in Liquid NH_3:A [NH₄(NH₃)₂]⁺Cation and a Thallophilic Interaction in [Tl₂(NH₃)₆]²⁺. / Rudel, Stefan S.; Graubner, Tim; Karttunen, Antti J. et al.
julkaisussa: Inorganic Chemistry, Vuosikerta 60, Nro 19, 04.10.2021, s. 15031–15040.

Tutkimustuotos: Lehtiartikkeli › Article › Scientific › vertaisarvioitu

TY - JOUR

T1 - Reactions of [SiF4(NH3)2] with Fluorides AF (A = Li-Cs, Tl, NH4) in Liquid NH3: A [NH4(NH3)2]+ Cation and a Thallophilic Interaction in [Tl2(NH3)6]2+

AU - Rudel, Stefan S.

AU - Graubner, Tim

AU - Karttunen, Antti J.

AU - Dehnen, Stefanie

AU - Kraus, Florian

PY - 2021/10/4

Y1 - 2021/10/4

N2 - We investigated whether [SiF4(NH3)2] can act as a fluoride-ion acceptor in its reactions with the fluorides AF (A = Li-Cs, Tl, NH4) in anhydrous liquid ammonia (NH3). While LiF and NaF did not react, we obtained the compounds K[SiF5(NH3)], Rb[SiF5(NH3)], and Cs[SiF5(NH3)], as well as [NH4(NH3)2]2[SiF6] and [Tl2(NH3)6][SiF6]·2NH3, from the other starting materials and characterized them by either single-crystal or powder X-ray diffraction. The compound [NH4(NH3)2]2[SiF6] contains the very rarely observed hydrogen-bonded, C2v-symmetric diammine ammonium cation [NH4(NH3)2]+, and the compound [Tl2(NH3)6][SiF6]·2NH3 is an example for an uncommon Tl(I)-Tl(I) interaction. This "thallophilic" interaction was investigated with quantum-chemical methods.

AB - We investigated whether [SiF4(NH3)2] can act as a fluoride-ion acceptor in its reactions with the fluorides AF (A = Li-Cs, Tl, NH4) in anhydrous liquid ammonia (NH3). While LiF and NaF did not react, we obtained the compounds K[SiF5(NH3)], Rb[SiF5(NH3)], and Cs[SiF5(NH3)], as well as [NH4(NH3)2]2[SiF6] and [Tl2(NH3)6][SiF6]·2NH3, from the other starting materials and characterized them by either single-crystal or powder X-ray diffraction. The compound [NH4(NH3)2]2[SiF6] contains the very rarely observed hydrogen-bonded, C2v-symmetric diammine ammonium cation [NH4(NH3)2]+, and the compound [Tl2(NH3)6][SiF6]·2NH3 is an example for an uncommon Tl(I)-Tl(I) interaction. This "thallophilic" interaction was investigated with quantum-chemical methods.

UR - https://www.scopus.com/pages/publications/85115949035

U2 - 10.1021/acs.inorgchem.1c02532

DO - 10.1021/acs.inorgchem.1c02532

M3 - Article

AN - SCOPUS:85115949035

SN - 0020-1669

VL - 60

SP - 15031

EP - 15040

JO - Inorganic Chemistry

JF - Inorganic Chemistry

IS - 19

ER -

Reactions of [SiF4(NH3)2] with Fluorides AF (A = Li-Cs, Tl, NH4) in Liquid NH3: A [NH4(NH3)2]+ Cation and a Thallophilic Interaction in [Tl2(NH3)6]2+

Abstrakti

Pääsy asiakirjaan

Muut tiedostot ja linkit

Sormenjälki

Tietoaineistot

CSD 2079396: Experimental Crystal Structure Determination

CSD 2079397: Experimental Crystal Structure Determination

CCDC 2079398: Experimental Crystal Structure Determination

Siteeraa tätä

Reactions of [SiF₄(NH₃)₂] with Fluorides AF (A = Li-Cs, Tl, NH₄) in Liquid NH_3:A [NH₄(NH₃)₂]⁺Cation and a Thallophilic Interaction in [Tl₂(NH₃)₆]²⁺