The persistent carbenes stabilized C n species for n = 1 and 2 are quite well-explored. However, the corresponding C 3 homologs have only been little explored so far. Herein, we presented our recent report about the thorough scrutiny of structure, stability and bonding in the complexes L–C 3 –L with L = PPh 3 (1), NHC Me (2) and cAAC Me (3) through Quantum chemical studies using density functional theory and ab initio methods. The results show that in the minimum energy geometries of 1 and 2 , the ligands are bonded with rather acute bonding angles at the linear C 3 moiety. While 1 prefers to have a synclinal (gauche) conformation, 2 has a trans conformation of the ligands. However, in 3 , two cAAC Me ligands bind with C 3 fragment, making a nearly linear arrangement at the central C 5 core. The bond dissociation energies with respect to the dissociation of the ligands have the order 1 < 2 < 3 . The bonding analysis using natural bond orbital and energy decomposition analyses in combination with natural orbital for chemical valence theory implies that 3 can be best represented as a cumulene with electron-sharing double bonds between neutral fragments (cAAC Me)=C 3 =(cAAC Me), whereas 1 and 2 have a mixing of electron-sharing and dative bonds between positively charged ligands [(PPh 3) 2 ] + and [(NHC Me) 2 ] + and negatively charged [C 3 ] − .