Matches in SemOpenAlex for { <https://semopenalex.org/work/W2020126415> ?p ?o ?g. }
- W2020126415 endingPage "9352" @default.
- W2020126415 startingPage "9346" @default.
- W2020126415 abstract "The electron-donor abilities of ten aminophenyl systems and an additional aminothienyl system are compared using density functional theory calculations. The systems studied here include those with amine nitrogen atoms bearing alkyl or aryl groups and those with amine nitrogen atoms as part of a heterocycle. Their abilities to act as donors in electron-transfer processes are assessed from calculated vertical ionization potentials for the aminobenzenes, which are in good agreement with available experimental data. Their abilities to act as intramolecular π-electron donors in conjugated systems are inferred from the bond lengths and charge densities calculated for the corresponding 4-aminobenzaldehydes and 4-aminobenzonitriles. The computed 13C NMR chemical shifts for the 4-aminobenzaldehydes and 4-aminobenzonitriles are in good agreement with published and new experimental data. The chemical shifts correlate well with the computed charge densities and can, to some extent, be used as an experimental probe of π-donor strength. We find that the electron-transfer-donor strengths do not correlate well with π-donor strengths: these differences can largely be attributed to steric effects." @default.
- W2020126415 created "2016-06-24" @default.
- W2020126415 creator A5014392016 @default.
- W2020126415 creator A5015881464 @default.
- W2020126415 creator A5021231690 @default.
- W2020126415 creator A5040717369 @default.
- W2020126415 creator A5050152527 @default.
- W2020126415 creator A5060118433 @default.
- W2020126415 creator A5076609099 @default.
- W2020126415 creator A5090987587 @default.
- W2020126415 date "2005-09-24" @default.
- W2020126415 modified "2023-10-09" @default.
- W2020126415 title "Aromatic Amines: A Comparison of Electron-Donor Strengths" @default.
- W2020126415 cites W1655034548 @default.
- W2020126415 cites W1968037081 @default.
- W2020126415 cites W1969094452 @default.
- W2020126415 cites W1970575067 @default.
- W2020126415 cites W1971063327 @default.
- W2020126415 cites W1976320542 @default.
- W2020126415 cites W1979675280 @default.
- W2020126415 cites W1980109154 @default.
- W2020126415 cites W1981207526 @default.
- W2020126415 cites W1981288854 @default.
- W2020126415 cites W1984122808 @default.
- W2020126415 cites W1985793906 @default.
- W2020126415 cites W1989621675 @default.
- W2020126415 cites W1989741811 @default.
- W2020126415 cites W1993266934 @default.
- W2020126415 cites W1993383767 @default.
- W2020126415 cites W1995024277 @default.
- W2020126415 cites W1999180648 @default.
- W2020126415 cites W2000689523 @default.
- W2020126415 cites W2002360592 @default.
- W2020126415 cites W2003278104 @default.
- W2020126415 cites W2003670051 @default.
- W2020126415 cites W2004278384 @default.
- W2020126415 cites W2005757748 @default.
- W2020126415 cites W2006683390 @default.
- W2020126415 cites W2006795535 @default.
- W2020126415 cites W2011702798 @default.
- W2020126415 cites W2014063179 @default.
- W2020126415 cites W2015515569 @default.
- W2020126415 cites W2017729127 @default.
- W2020126415 cites W2019649880 @default.
- W2020126415 cites W2020602731 @default.
- W2020126415 cites W2024184591 @default.
- W2020126415 cites W2029683673 @default.
- W2020126415 cites W2030044320 @default.
- W2020126415 cites W2031567962 @default.
- W2020126415 cites W2033946198 @default.
- W2020126415 cites W2035887397 @default.
- W2020126415 cites W2037809313 @default.
- W2020126415 cites W2038767330 @default.
- W2020126415 cites W2038885238 @default.
- W2020126415 cites W2040964932 @default.
- W2020126415 cites W2042937651 @default.
- W2020126415 cites W2044505450 @default.
- W2020126415 cites W2045469213 @default.
- W2020126415 cites W2052399794 @default.
- W2020126415 cites W2052568700 @default.
- W2020126415 cites W2053361842 @default.
- W2020126415 cites W2053673044 @default.
- W2020126415 cites W2053808441 @default.
- W2020126415 cites W2054126784 @default.
- W2020126415 cites W2054259537 @default.
- W2020126415 cites W2055031123 @default.
- W2020126415 cites W2057589821 @default.
- W2020126415 cites W2057658607 @default.
- W2020126415 cites W2061464631 @default.
- W2020126415 cites W2063119300 @default.
- W2020126415 cites W2067434639 @default.
- W2020126415 cites W2071102901 @default.
- W2020126415 cites W2071137859 @default.
- W2020126415 cites W2077188122 @default.
- W2020126415 cites W2080609344 @default.
- W2020126415 cites W2083877774 @default.
- W2020126415 cites W2088879007 @default.
- W2020126415 cites W2090626708 @default.
- W2020126415 cites W2092344811 @default.
- W2020126415 cites W2094002839 @default.
- W2020126415 cites W2095378245 @default.
- W2020126415 cites W2101195495 @default.
- W2020126415 cites W2120019528 @default.
- W2020126415 cites W2137927333 @default.
- W2020126415 cites W2138470006 @default.
- W2020126415 cites W2139993630 @default.
- W2020126415 cites W2143598613 @default.
- W2020126415 cites W2143981217 @default.
- W2020126415 cites W2151651788 @default.
- W2020126415 cites W2156115804 @default.
- W2020126415 cites W2164930732 @default.
- W2020126415 cites W2282461740 @default.
- W2020126415 cites W2949568511 @default.
- W2020126415 cites W2950402489 @default.
- W2020126415 cites W2951367338 @default.
- W2020126415 cites W2951437235 @default.
- W2020126415 cites W2953034850 @default.
- W2020126415 cites W2953048249 @default.