Corridor Bonding Theory: A QTAIM-Based Density-Informed Graph Language for Teaching and Interpreting Chemical Structure
- 1LBRT Quantum Informatics
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.
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BibTeX
@misc{thommen2026corridor,
title = {{Corridor Bonding Theory: A QTAIM-Based Density-Informed Graph Language for Teaching and Interpreting Chemical Structure}},
author = {Felix Thommen},
howpublished = {ChemRxiv},
year = {2026},
month = sep,
doi = {10.26434/chemrxiv.15008357/v1},
url = {https://chemrxiv.org/doi/full/10.26434/chemrxiv.15008357/v1},
note = {CC BY},
}
RIS
TY - UNPB
TI - Corridor Bonding Theory: A QTAIM-Based Density-Informed Graph Language for Teaching and Interpreting Chemical Structure
AU - Felix Thommen
PY - 2026
DA - 2026/09/06
PB - ChemRxiv
DO - 10.26434/chemrxiv.15008357/v1
UR - https://chemrxiv.org/doi/full/10.26434/chemrxiv.15008357/v1
AB - 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.
ER -