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• W2335654370 endingPage "1090" @default.
• W2335654370 startingPage "1080" @default.
• W2335654370 abstract "Combining variable-temperature infrared and NMR spectroscopic studies with quantum-chemical calculations (density functional theory (DFT) and natural bond orbital) allowed us to address the problem of competition between MH (M = transition metal) and BH hydrogens as proton-accepting sites in dihydrogen bond (DHB) and to unravel the mechanism of proton transfer to complex (PP3)RuH(η(1)-BH4) (1, PP3 = κ(4)-P(CH2CH2PPh2)3). Interaction of complex 1 with CH3OH, fluorinated alcohols of variable acid strength [CH2FCH2OH, CF3CH2OH, (CF3)2CHOH (HFIP), (CF3)3COH], and CF3COOH leads to the medium-strength DHB complexes involving BH bonds (3-5 kcal/mol), whereas DHB complexes with RuH were not observed experimentally. The two proton-transfer pathways were considered in DFT/M06 calculations. The first one goes via more favorable bifurcate complexes to BHterm and high activation barriers (38.2 and 28.4 kcal/mol in case of HFIP) and leads directly to the thermodynamic product [(PP3)RuHeq(H2)](+)[OR](-). The second pathway starts from the less-favorable complex with RuH ligand but shows a lower activation barrier (23.5 kcal/mol for HFIP) and eventually leads to the final product via the isomerization of intermediate [(PP3)RuHax(H2)](+)[OR](-). The B-Hbr bond breaking is the common key step of all pathways investigated." @default.
• W2335654370 created "2016-06-24" @default.
• W2335654370 creator A5004284214 @default.
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• W2335654370 date "2013-12-26" @default.
• W2335654370 modified "2023-10-16" @default.
• W2335654370 title "Dihydrogen Bonding in Complex (PP₃)RuH(η¹-BH₄) Featuring Two Proton-Accepting Hydride Sites: Experimental and Theoretical Studies" @default.
• W2335654370 cites W11750561 @default.
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• W2335654370 cites W1968906911 @default.
• W2335654370 cites W1970052020 @default.
• W2335654370 cites W1971275758 @default.
• W2335654370 cites W1972689526 @default.
• W2335654370 cites W1975167576 @default.
• W2335654370 cites W1979579269 @default.
• W2335654370 cites W1979667008 @default.
• W2335654370 cites W1979888895 @default.
• W2335654370 cites W1981111904 @default.
• W2335654370 cites W1985186925 @default.
• W2335654370 cites W1989813632 @default.
• W2335654370 cites W1994609975 @default.
• W2335654370 cites W2002583994 @default.
• W2335654370 cites W2003358613 @default.
• W2335654370 cites W2009188079 @default.
• W2335654370 cites W2011280033 @default.
• W2335654370 cites W2014917735 @default.
• W2335654370 cites W2017839657 @default.
• W2335654370 cites W2017985925 @default.
• W2335654370 cites W2018345991 @default.
• W2335654370 cites W2019437299 @default.
• W2335654370 cites W2033925868 @default.
• W2335654370 cites W2034329056 @default.
• W2335654370 cites W2039919004 @default.
• W2335654370 cites W2042944554 @default.
• W2335654370 cites W2045820668 @default.
• W2335654370 cites W2045946391 @default.
• W2335654370 cites W2046114686 @default.
• W2335654370 cites W2046412723 @default.
• W2335654370 cites W2057300170 @default.
• W2335654370 cites W2057796554 @default.
• W2335654370 cites W2059161720 @default.
• W2335654370 cites W2059564067 @default.
• W2335654370 cites W2060412313 @default.
• W2335654370 cites W2067184043 @default.
• W2335654370 cites W2069659678 @default.
• W2335654370 cites W2070513934 @default.
• W2335654370 cites W2070732702 @default.
• W2335654370 cites W2077427344 @default.
• W2335654370 cites W2078510295 @default.
• W2335654370 cites W2078532611 @default.
• W2335654370 cites W2079749798 @default.
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• W2335654370 cites W2140018028 @default.
• W2335654370 cites W2141031397 @default.
• W2335654370 cites W2150697053 @default.
• W2335654370 cites W2152027482 @default.
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• W2335654370 cites W2322924255 @default.
• W2335654370 cites W2331838524 @default.
• W2335654370 cites W2336431941 @default.
• W2335654370 cites W2483548563 @default.
• W2335654370 cites W2950493572 @default.
• W2335654370 cites W2952112549 @default.
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• W2335654370 doi "https://doi.org/10.1021/ic4026206" @default.
• W2335654370 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/24369730" @default.
• W2335654370 hasPublicationYear "2013" @default.
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