Standard

Intermolecular Metal-Involving Pnictogen Bonding: The Case of σ-(SbIII)-Hole···dz2[PtII] Interaction. / Черанёва, Анна Михайловна; Зеленков, Лев Евгеньевич; Байков, Сергей Валентинович; Изотова, Юлия Анверовна; Иванов, Даниил Михайлович; Бокач, Надежда Арсеньевна; Кукушкин, Вадим Юрьевич.

In: Inorganic Chemistry, Vol. 63, No. 32, 12.08.2024, p. 14943–14957.

Research output: Contribution to journal › Article › peer-review

Harvard

Черанёва, АМ, Зеленков, ЛЕ, Байков, СВ, Изотова, ЮА, Иванов, ДМ, Бокач, НА & Кукушкин, ВЮ 2024, 'Intermolecular Metal-Involving Pnictogen Bonding: The Case of σ-(SbIII)-Hole···dz2[PtII] Interaction', Inorganic Chemistry, vol. 63, no. 32, pp. 14943–14957. https://doi.org/10.1021/acs.inorgchem.4c01570

APA

Черанёва, А. М., Зеленков, Л. Е., Байков, С. В., Изотова, Ю. А., Иванов, Д. М., Бокач, Н. А., & Кукушкин, В. Ю. (2024). Intermolecular Metal-Involving Pnictogen Bonding: The Case of σ-(SbIII)-Hole···dz2[PtII] Interaction. Inorganic Chemistry, 63(32), 14943–14957. https://doi.org/10.1021/acs.inorgchem.4c01570

Vancouver

Черанёва АМ, Зеленков ЛЕ, Байков СВ, Изотова ЮА, Иванов ДМ, Бокач НА et al. Intermolecular Metal-Involving Pnictogen Bonding: The Case of σ-(SbIII)-Hole···dz2[PtII] Interaction. Inorganic Chemistry. 2024 Aug 12;63(32):14943–14957. https://doi.org/10.1021/acs.inorgchem.4c01570

Author

Черанёва, Анна Михайловна ; Зеленков, Лев Евгеньевич ; Байков, Сергей Валентинович ; Изотова, Юлия Анверовна ; Иванов, Даниил Михайлович ; Бокач, Надежда Арсеньевна ; Кукушкин, Вадим Юрьевич. / Intermolecular Metal-Involving Pnictogen Bonding: The Case of σ-(SbIII)-Hole···dz2[PtII] Interaction. In: Inorganic Chemistry. 2024 ; Vol. 63, No. 32. pp. 14943–14957.

BibTeX

@article{cc6283c32f1f43d4b2faba7d36b1c591,
title = "Intermolecular Metal-Involving Pnictogen Bonding: The Case of σ-(SbIII)-Hole···dz2[PtII] Interaction",
abstract = "Cocrystallizations of trans-[PtX'2(NCNR2)2] (R2 = Me2, X' = Cl 1a, Br 1b, I 1c; R2 = (CH2)5, X' = I 2c) with SbX3 (X = Cl, Br, I) gave 1:2 cocrystals 1a·2SbCl3, 1b·2SbBr3, 1c·2SbCl3, 1c·2SbBr3, 1c·2SbI3, and 2c·2SbI3. In all six X-ray structures, the association of the molecular coformers is achieved mainly by SbIII···dz2[PtII] metal-involving intermolecular pnictogen bonding. Density functional theory (DFT) calculations (based on experimentally determined geometries) using both gas-phase and solid-state approximations revealed that a σ-(Sb)-hole interacts with an area of negative potential associated with the dz2-orbital of the positively charged platinum(II) sites, thus forming a pnictogen bond whose energy falls in the range between −7.3 and −16.9 kcal/mol.",
author = "Черанёва, {Анна Михайловна} and Зеленков, {Лев Евгеньевич} and Байков, {Сергей Валентинович} and Изотова, {Юлия Анверовна} and Иванов, {Даниил Михайлович} and Бокач, {Надежда Арсеньевна} and Кукушкин, {Вадим Юрьевич}",
year = "2024",
month = aug,
day = "12",
doi = "10.1021/acs.inorgchem.4c01570",
language = "English",
volume = "63",
pages = "14943–14957",
journal = "Inorganic Chemistry",
issn = "0020-1669",
publisher = "American Chemical Society",
number = "32",

}

RIS

TY - JOUR

T1 - Intermolecular Metal-Involving Pnictogen Bonding: The Case of σ-(SbIII)-Hole···dz2[PtII] Interaction

AU - Черанёва, Анна Михайловна

AU - Зеленков, Лев Евгеньевич

AU - Байков, Сергей Валентинович

AU - Изотова, Юлия Анверовна

AU - Иванов, Даниил Михайлович

AU - Бокач, Надежда Арсеньевна

AU - Кукушкин, Вадим Юрьевич

PY - 2024/8/12

Y1 - 2024/8/12

N2 - Cocrystallizations of trans-[PtX'2(NCNR2)2] (R2 = Me2, X' = Cl 1a, Br 1b, I 1c; R2 = (CH2)5, X' = I 2c) with SbX3 (X = Cl, Br, I) gave 1:2 cocrystals 1a·2SbCl3, 1b·2SbBr3, 1c·2SbCl3, 1c·2SbBr3, 1c·2SbI3, and 2c·2SbI3. In all six X-ray structures, the association of the molecular coformers is achieved mainly by SbIII···dz2[PtII] metal-involving intermolecular pnictogen bonding. Density functional theory (DFT) calculations (based on experimentally determined geometries) using both gas-phase and solid-state approximations revealed that a σ-(Sb)-hole interacts with an area of negative potential associated with the dz2-orbital of the positively charged platinum(II) sites, thus forming a pnictogen bond whose energy falls in the range between −7.3 and −16.9 kcal/mol.

AB - Cocrystallizations of trans-[PtX'2(NCNR2)2] (R2 = Me2, X' = Cl 1a, Br 1b, I 1c; R2 = (CH2)5, X' = I 2c) with SbX3 (X = Cl, Br, I) gave 1:2 cocrystals 1a·2SbCl3, 1b·2SbBr3, 1c·2SbCl3, 1c·2SbBr3, 1c·2SbI3, and 2c·2SbI3. In all six X-ray structures, the association of the molecular coformers is achieved mainly by SbIII···dz2[PtII] metal-involving intermolecular pnictogen bonding. Density functional theory (DFT) calculations (based on experimentally determined geometries) using both gas-phase and solid-state approximations revealed that a σ-(Sb)-hole interacts with an area of negative potential associated with the dz2-orbital of the positively charged platinum(II) sites, thus forming a pnictogen bond whose energy falls in the range between −7.3 and −16.9 kcal/mol.

UR - https://pubs.acs.org/doi/10.1021/acs.inorgchem.4c01570

UR - https://www.mendeley.com/catalogue/5eb9e5ba-727d-30bc-b0e7-51ce1ed35892/

U2 - 10.1021/acs.inorgchem.4c01570

DO - 10.1021/acs.inorgchem.4c01570

M3 - Article

VL - 63

SP - 14943

EP - 14957

JO - Inorganic Chemistry

JF - Inorganic Chemistry

SN - 0020-1669

IS - 32

ER -

ID: 122145893