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Calculation of Deuteration Exchange Reaction Pathway between Pincer‐type Amido Hydride Ir( III ) Complex and Deuterated Ammonia
Author(s) -
Lee Eun Sung,
Jang Hyo Weon
Publication year - 2017
Publication title -
bulletin of the korean chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.237
H-Index - 59
ISSN - 1229-5949
DOI - 10.1002/bkcs.11137
Subject(s) - pincer movement , chemistry , iridium , catalysis , catalytic cycle , hydride , ammonia , ligand (biochemistry) , deuterium , photochemistry , pincer ligand , substrate (aquarium) , hydrogen–deuterium exchange , inorganic chemistry , medicinal chemistry , metal , hydrogen , organic chemistry , physics , quantum mechanics , biochemistry , receptor , oceanography , geology
A 16‐electron five‐coordinated transition metal complex may serve as a catalyst for electron‐donating‐and‐accepting substrate, accompanied by several 18‐electron complex intermediates during the catalysis reaction cycle. This note exemplifies this for certain amido hydride iridium complex coordinated by pincer‐type ligand and ammonia using DFT calculations.