The results of a theoretical study concern with the question of how carbon hybridization affects coupling constants across C-13-X Cl-35-F-19 (X=F-19, Cl-35, Br-79) dihalogen bond are demonstrated in the present work. The NMR calculations are performed at B3LYP/aug-cc-pVTZ and PBEO/aug-cc-pVTZ levels. Here, halomethanes, haloethylenes and haloacetylenes are considered as halogen acceptor and CIF as halogen donor. Similar to vertical bar Delta vertical bar, (1x)J(X-CI) and vertical bar(12)J(X-F)vertical bar (with the exception of vertical bar(2X)J(Cl-F)vertical bar) increase as follows: C(sp(3)) > C(sp(2)) > C(sp). An opposite order is observed forik (1)J(Cl-F) Also, the changes of vertical bar(2X)J(Cl-F)vertical bar are negligible and irregular. (C) 2015 Elsevier B.V. All rights reserved.