TY - JOUR
T1 - Investigations of electronic interactions between closo-boranes and triple-bonded substituents
AU - Kaszynski, Piotr
AU - Pakhomov, Serhii
AU - Young, Victor G.
PY - 2002/7/1
Y1 - 2002/7/1
N2 - Intramolecular electronic interactions were investigated in five series of 12-, 10-, and 6-vertex closo-boranes and hydrocarbons (benzene, acetylene, bicyclo[2.2.2]octane, and cubane) substituted with triple-bonded groups Y≡Z (C≡CR, C≡N, C≡O, and N≡N). Structural data (single crystal X-ray crystallography), spectroscopic properties (UV, IR, and NMR), chemical behavior (dediazoniation reactions), and electronic structure calculations (hybridization and π bond order) are all in agreement that the degree of electronic conjugation between the cluster and the Y≡Z substituent is lowest for the 12-vertex closo-borane and highest for the 6-vertex analog.
AB - Intramolecular electronic interactions were investigated in five series of 12-, 10-, and 6-vertex closo-boranes and hydrocarbons (benzene, acetylene, bicyclo[2.2.2]octane, and cubane) substituted with triple-bonded groups Y≡Z (C≡CR, C≡N, C≡O, and N≡N). Structural data (single crystal X-ray crystallography), spectroscopic properties (UV, IR, and NMR), chemical behavior (dediazoniation reactions), and electronic structure calculations (hybridization and π bond order) are all in agreement that the degree of electronic conjugation between the cluster and the Y≡Z substituent is lowest for the 12-vertex closo-borane and highest for the 6-vertex analog.
KW - Ab initio calculations
KW - Boranes
KW - Carboranes
KW - Electron transmission
KW - Structure elucidation
KW - Substituent effects
KW - X-ray diffraction
KW - π Interactions
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U2 - 10.1135/cccc20021061
DO - 10.1135/cccc20021061
M3 - Article
AN - SCOPUS:0036660347
SN - 0010-0765
VL - 67
SP - 1061
EP - 1083
JO - Collection of Czechoslovak Chemical Communications
JF - Collection of Czechoslovak Chemical Communications
IS - 7
ER -