Premium
Intermolecular Interactions in Fluorinated Tetraarylporphyrins: An Experimental and Theoretical Study
Author(s) -
Soman Rahul,
Sujatha Subramaniam,
De Susmita,
Rojisha Vallyanga Chalil,
Parameswaran Pattiyil,
Varghese Babu,
Arunkumar Chellaiah
Publication year - 2014
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.201402008
Subject(s) - chemistry , intermolecular force , tetrahydrofuran , supramolecular chemistry , porphyrin , crystallography , decomposition , fluorine , metal , intermolecular interaction , interaction energy , computational chemistry , photochemistry , molecule , crystal structure , organic chemistry , solvent
Crystallographic studies of the fluorinated tetraarylporphyrin 5,10,15,20‐tetrakis(2′,3′,5′,6′‐tetrafluoro‐ N , N ‐dimethyl‐4‐anilinyl)porphyrin and its metal complexes [MTF 4 DMAP; M = 2H · 2H 2 O, 1 ; Ni II · THF, 2 ; Cu II · 5H 2 O, 3 ; and Zn II · (THF) 2 , 4 ; THF = tetrahydrofuran] are reported. To analyse the weak intermolecular interactions, we have used a combination of energy decomposition analysis and Hirshfeld surface analysis, which allowed us to elucidate the nature of various close contacts. The energy decomposition analysis shows that dispersive interactions involving fluorine atoms significantly contribute to the stabilizing intermolecular interactions. Cooperative weak interactions such as C–F ··· H/C/F, C–H ··· π and H ··· H are responsible for the formation and stabilization of the supramolecular self assemblies.