Cooperative Intrinsic Basicity and Hydrogen Bonding Render SmI2More Azaphilic than Oxophilic

Gil Kolin; Renana Schwartz; Daniel Shuster; Dan Thomas Major; Shmaryahu Hoz

doi:10.1021/acsomega.2c04680

Cooperative Intrinsic Basicity and Hydrogen Bonding Render SmI₂More Azaphilic than Oxophilic

Gil Kolin, Renana Schwartz, Daniel Shuster, Dan Thomas Major, Shmaryahu Hoz

Department of Chemistry

Bar-Ilan University

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

Abstract

It has been recently shown that SmI₂is more azaphilic than oxophilic. Density functional theory calculations reveal that coordination of 1-3 molecules of ethylenediamine is more exothermic by up to 10 kcal/mol than coordination of the corresponding number of ethylene glycol molecules. Taking into account also hydrogen bonds between ligands and tetrahydrofuran doubles this preference. The intrinsic affinity parallels the order of basicity. The cooperativity with the hydrogen bonding makes SmI₂more azaphilic than oxophilic.

Original language	English
Pages (from-to)	40021-40024
Number of pages	4
Journal	ACS Omega
Volume	7
Issue number	44
DOIs	https://doi.org/10.1021/acsomega.2c04680
State	Published - 8 Nov 2022

Bibliographical note

Publisher Copyright:
© 2022 American Chemical Society. All rights reserved.

Funding

This research was supported by the Israel Science Foundation (grant no. 583/15). We thank Prof. Laurent Maron for his advice in the early stages of the project.

Funders	Funder number
Israel Science Foundation	583/15

Access to Document

10.1021/acsomega.2c04680

Cite this

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