Matches in SemOpenAlex for { <https://semopenalex.org/work/W2023600216> ?p ?o ?g. }
- W2023600216 endingPage "75" @default.
- W2023600216 startingPage "67" @default.
- W2023600216 abstract "The occurrence of pnicogen bonds (N⋯P) and hydrogen bonds (F⋯H or Cl⋯H) in heterocyclic complexes formed by C2H5N⋯PH3, C2H5N⋯PH2F and C2H5N⋯PH2Cl was investigated at the B3LYP/6-311++G(d,p) level of theory. Analysis of the infrared spectra revealed the appearance of both red and blue shifts for the P–H bonds. However, in the case of the P–F and P–Cl bonds only red shifts were observed. The phenomenology of these vibration modes was interpreted on the basis of the QTAIM atomic radii as well as the contributions of the s and p orbitals determined via NBO calculations. The results of this latter investigation are consistent with the rehybridization theory and the Bent rule for chemical bonding. The charge transfer between N and P was determined in order to verify whether these atoms present an acid or base profile upon the formation of the pnicogen bonds." @default.
- W2023600216 created "2016-06-24" @default.
- W2023600216 creator A5057675084 @default.
- W2023600216 date "2014-10-01" @default.
- W2023600216 modified "2023-09-26" @default.
- W2023600216 title "Theoretical estimation of pnicogen bonds and hydrogen bonds in small heterocyclic complexes: Red-shifts and blue-shifts ruled by polarization effects" @default.
- W2023600216 cites W1968585224 @default.
- W2023600216 cites W1968861328 @default.
- W2023600216 cites W1969557805 @default.
- W2023600216 cites W1969817774 @default.
- W2023600216 cites W1970415935 @default.
- W2023600216 cites W1971163225 @default.
- W2023600216 cites W1971413830 @default.
- W2023600216 cites W1971543768 @default.
- W2023600216 cites W1971936953 @default.
- W2023600216 cites W1982140573 @default.
- W2023600216 cites W1990243219 @default.
- W2023600216 cites W1993573885 @default.
- W2023600216 cites W1994935074 @default.
- W2023600216 cites W1995690262 @default.
- W2023600216 cites W1997706324 @default.
- W2023600216 cites W2001180342 @default.
- W2023600216 cites W2001219936 @default.
- W2023600216 cites W2001267796 @default.
- W2023600216 cites W2003614014 @default.
- W2023600216 cites W2004498960 @default.
- W2023600216 cites W2005148229 @default.
- W2023600216 cites W2007163949 @default.
- W2023600216 cites W2008234675 @default.
- W2023600216 cites W2009607979 @default.
- W2023600216 cites W2010143602 @default.
- W2023600216 cites W2015656281 @default.
- W2023600216 cites W2015818386 @default.
- W2023600216 cites W2016373164 @default.
- W2023600216 cites W2016434549 @default.
- W2023600216 cites W2017199865 @default.
- W2023600216 cites W2017870857 @default.
- W2023600216 cites W2018031713 @default.
- W2023600216 cites W2022366997 @default.
- W2023600216 cites W2025197782 @default.
- W2023600216 cites W2025484129 @default.
- W2023600216 cites W2026179245 @default.
- W2023600216 cites W2026808299 @default.
- W2023600216 cites W2027888183 @default.
- W2023600216 cites W2030841140 @default.
- W2023600216 cites W2032662029 @default.
- W2023600216 cites W2041758191 @default.
- W2023600216 cites W2043035178 @default.
- W2023600216 cites W2045382844 @default.
- W2023600216 cites W2051340186 @default.
- W2023600216 cites W2051469879 @default.
- W2023600216 cites W2052119010 @default.
- W2023600216 cites W2053231347 @default.
- W2023600216 cites W2054654266 @default.
- W2023600216 cites W2055483267 @default.
- W2023600216 cites W2061776255 @default.
- W2023600216 cites W2062272842 @default.
- W2023600216 cites W2062283863 @default.
- W2023600216 cites W2062489417 @default.
- W2023600216 cites W2064646891 @default.
- W2023600216 cites W2065485112 @default.
- W2023600216 cites W2066092236 @default.
- W2023600216 cites W2066399486 @default.
- W2023600216 cites W2069853965 @default.
- W2023600216 cites W2071053507 @default.
- W2023600216 cites W2071922898 @default.
- W2023600216 cites W2073272057 @default.
- W2023600216 cites W2077385619 @default.
- W2023600216 cites W2078410387 @default.
- W2023600216 cites W2078497097 @default.
- W2023600216 cites W2080130231 @default.
- W2023600216 cites W2080748295 @default.
- W2023600216 cites W2083192307 @default.
- W2023600216 cites W2088493866 @default.
- W2023600216 cites W2091705327 @default.
- W2023600216 cites W2093629890 @default.
- W2023600216 cites W2096058748 @default.
- W2023600216 cites W2100976723 @default.
- W2023600216 cites W2101553066 @default.
- W2023600216 cites W2101555361 @default.
- W2023600216 cites W2108593501 @default.
- W2023600216 cites W2113569818 @default.
- W2023600216 cites W2114952418 @default.
- W2023600216 cites W2125696297 @default.
- W2023600216 cites W2134019393 @default.
- W2023600216 cites W2135855027 @default.
- W2023600216 cites W2138178106 @default.
- W2023600216 cites W2138513904 @default.
- W2023600216 cites W2138841461 @default.
- W2023600216 cites W2145506136 @default.
- W2023600216 cites W2148941593 @default.
- W2023600216 cites W2151334055 @default.
- W2023600216 cites W2158976315 @default.
- W2023600216 cites W2159650464 @default.
- W2023600216 cites W2166956719 @default.
- W2023600216 cites W2318716890 @default.
- W2023600216 cites W2325337576 @default.
- W2023600216 cites W2326187149 @default.