Polarization Upends Convention: Halogen Bonding Propensities of Main Group Halides DOI Creative Commons

Noah Robinson,

Nam Pham,

Kelling J. Donald

et al.

The Journal of Physical Chemistry A, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 15, 2025

The propensities for sigma hole bonding by halogen atoms bonded to central below period 2 in the periodic table remain be systematically examined. Using iodine as our reference atom, a comprehensive analysis of tendencies and other forms significant simple compounds main group from H At is accomplished. An examination structure complexes formed those iodine-substituted donating bases (ammonia trimethylamine) performed probe viability heavy RnM-I particular, given historic focus on 2. We show that FnM-I systems certain columns vary anomalously M gets heavier due polarization-induced escalation electrostatic potential I. In cases, positive at I weaker than holes or geminal R atoms. Previously unexplored cases strong fluoroiodides 13 are identified, prospects type interactions polarized (main group) elucidated.

Language: Английский

Polarization Upends Convention: Halogen Bonding Propensities of Main Group Halides DOI Creative Commons

Noah Robinson,

Nam Pham,

Kelling J. Donald

et al.

The Journal of Physical Chemistry A, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 15, 2025

The propensities for sigma hole bonding by halogen atoms bonded to central below period 2 in the periodic table remain be systematically examined. Using iodine as our reference atom, a comprehensive analysis of tendencies and other forms significant simple compounds main group from H At is accomplished. An examination structure complexes formed those iodine-substituted donating bases (ammonia trimethylamine) performed probe viability heavy RnM-I particular, given historic focus on 2. We show that FnM-I systems certain columns vary anomalously M gets heavier due polarization-induced escalation electrostatic potential I. In cases, positive at I weaker than holes or geminal R atoms. Previously unexplored cases strong fluoroiodides 13 are identified, prospects type interactions polarized (main group) elucidated.

Language: Английский

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