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Chemical Physics Letters 556 (2013) 18–22 Contents lists available at SciVerse ScienceDirect Chemical Physics Letters journal homepage: www.else /locate/cplett Conjugation vs hyperconjugation in molecular structure of acrolein Svitlana V. Shishkina a,⇑, Anzhelika I. Slabko b, Oleg V. Shishkin a,c a Division of Functional Materials Chemistry, SSI ‘Institute for Single Crystals’, National Academy of Science of Ukraine, 60 Lenina Ave., Kharkiv 61001, Ukraine b Department of Technology of Plastic Masses, National Technical University ‘Kharkiv Polythechnic Institute’, 21 Frunze Str., Kharkiv 61002, Ukraine c Department of Inorganic Chemistry, V.N. Karazin Kharkiv National University, 4 Svobody Sq., Kharkiv 61077, Ukraine a r t i c l e i n f o a b s t r a c t Article history: 2 Analysis of geometric parameters of butadiene and acrolein reveals the contradiction between the Csp – Received 4 August 2012 Csp2 bond length in acrolein and classical concept of conjugation degree in the polarized molecules. In In final form 16 November 2012 2 2 this Letter the reasons of this contradiction have been investigated. It is concluded that the Csp –Csp Available online 29 November 2012 bond length in acrolein is determined by influenc