Synergistic and antagonistic interplay between tetrel bond and pnicogen bond in complexes involving ring compounds
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DOI: 10.1007/s00894-019-4206-1
Abstract: The binary and ternary complexes composed of GeH3F, AsH2F and ring compounds (benzene, borazine and cyclopentadienyl anion) have been studied by theoretical calculations to understand the interplay between the tetrel bond and pnicogen bond interactions.… read more here.
Keywords: pnicogen bond; bond; interplay; tetrel bond ... See more keywords
Pnicogen bond interaction between PF2Y (Y = –C☰N, –N☰C) with NH3, CH3OH, H2O, and HF molecules
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DOI: 10.1007/s11224-017-0968-1
Abstract: Ab initio calculations have been carried out at MP2/aug-cc-pVDZ level to investigate the X…PF2Y pnicogen bond interactions (Y = –C☰N, –N☰C; X = NH3, CH3OH, H2O, and HF molecules). Characteristics of X…PF2CN complexes have been compared with X…PF2NC complexes… read more here.
Keywords: pnicogen bond; bond; nh3 ch3oh; bond interaction ... See more keywords
Competition between σ-hole pnicogen bond and π-hole tetrel bond in complexes of CF2=CFZH2 (Z = P, As, and Sb)
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DOI: 10.1080/00268976.2018.1508782
Abstract: ABSTRACT A computational study of the complexes formed by F2C=CFZH2 (Z = P, As, and Sb) and F2C=CFPF2 with two Lewis bases (NH3 and NMe3) has been carried out. In general, two minima complexes are found, one… read more here.
Keywords: pnicogen bond; hole pnicogen; bond; tetrel ... See more keywords