A Rare Intramolecular Au···H–C(sp3) Interaction in a Gold(I) N-Heterocyclic Carbene

Vaddamanu, Moulali and Sathyanarayana, Arruri and Masaya, Yamane and Sugiyama, Shohei and Kazuhisa, Ozaki and Velappan, Kavitha and Subramaniyam, Kalaivanan and Hisano, Kyohei and Tsutsumi, Osamu and Prabusankar, Ganesan (2020) A Rare Intramolecular Au···H–C(sp3) Interaction in a Gold(I) N-Heterocyclic Carbene. Organometallics, 39 (12). pp. 2202-2206. ISSN 0276-7333

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Abstract

We present a rare intramolecular Au···H-C(sp3) hydrogen-bonding interaction and luminescent properties of a gold(I) carbene complex. The Au(I) complex [(L)Au(I)Cl] (1), where L = N-(9-anthracenyl)-N′-(heptyl)benzimidazol-2-ylidene, was prepared, and thermal, emission, and lifetime properties along with a density functional theory study have been considered. X-ray diffraction analysis of single crystals evidenced the solid-state structure of gold complex 1, which exhibited the expected linear coordination geometry. The n-heptane arm of L modulates the hydrogen-bonding interaction between Au(I) and the hydrogen atom of one of the CH2 moieties. The packing of the gold(I) carbene complex shows an interesting one-dimensional column in the solid state due to intermolecular Cl···H interactions. The blue emission of 1 in the 400-560 nm region has been tentatively ascribed to arise from intraligand and gold transitions, but the hydrogen-bonding interactions may also make partial contributions.

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IITH Creators:
IITH CreatorsORCiD
Vaddamanu, M.UNSPECIFIED
Subramaniyam, K.UNSPECIFIED
Prabusankar, G.UNSPECIFIED
Item Type: Article
Uncontrolled Keywords: Carbene complexes; Coordination geometry; Density functional theory studies; Hydrogen atoms; Hydrogen bonding interactions; Luminescent property; N-heterocyclic carbenes; Solid-state structures;Carbene complexes; Coordination geometry; Density functional theory studies; Hydrogen atoms; Hydrogen bonding interactions; Luminescent property; N-heterocyclic carbenes; Solid-state structures
Subjects: Chemistry
Chemistry > Inorganic chemistry
Chemical Engineering
Chemical Engineering > Organic products
Divisions: Department of Chemistry
Depositing User: . LibTrainee 2021
Date Deposited: 21 Jun 2021 10:06
Last Modified: 21 Jun 2021 10:06
URI: http://raiith.iith.ac.in/id/eprint/7960
Publisher URL: http://doi.org/10.1021/acs.organomet.0c00281
OA policy: https://v2.sherpa.ac.uk/id/publication/7795
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