Corridor Bonding Theory: A QTAIM-Based Density-Informed Graph Language for Teaching and Interpreting Chemical Structure
Year: 2026
Type: preprint
Abstract: Lewis structures, hybridization, the sigma/pi partition, and resonance hybrids remain the default teaching language of the chemical bond. They are useful representational tools, but they do not constitute a unique ontology of chemical bonding. This paper states Corridor Bonding Theory in its total form (CBT-T): a QTAIM-based density-informed graph language. An atom is a QTAIM basin. A corridor is a thresholded sharing contact; a large w is not by itself a binding energy, a force, or a reaction coordinate. The computational candidate set C(R*) is a finite screening rule, not a physical existence claim. G0 keeps screened pairs with w>eps (eps=1.0e-4). Gtheta keeps pairs with w>=theta. Unused capacity is a residual teaching label called a loop. Polarity is annotated by tau_q from QTAIM charges q=Z-N. A visually balanced cycle is a figure convention, not a theory of aromaticity. A reaction comparison is a difference of two stationary graphs, not a trajectory. The map is total: every stationary density yields G0, Gtheta, w and tau_q. There is no handshake that rejects a molecule, no post-hoc change of ports, and no unique integer bond order. w=delta(A,B)/delta(H,H) at one electronic-structure level. Appendix A2 reports that delta at PBE0/def2-TZVP for the protocol set, including CO2, open O3, SO2, SO3, B2H6, benzene, He2 and Ne2. Appendix C is a Wiberg-Lowdin proxy only.
Source: ChemRxiv
Author: Felix Thommen
Language: English
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W7211895562