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triatom axis or when two atoms surround at a time the two-atom axis. The present study not only supports the findings of the previous study, in particular, the crucial role played by the topological D matrix for diabatization, but it also reveals new features which are expected to be more and more pronounced the larger the original collinear molecule. As already implied, shifting away two atoms from the collinear molecular axis does not necessarily abolish the ability of the remaining two atoms to form topological effects. Moreover, the study indicates that when the two hydrogens are shifted away, the CC axis produces two kinds of topological effects: 1 a Renner-Teller effect characterized by a topological phase of 2 which is revealed when the two hydrogens surround, rigidly, this axis as mentioned above, and 2 a Jahn-Teller effect characterized by a topological phase of which is revealed when one of the hydrogens surrounds this axis while the other hydrogen is clamped to its position. © 2007 American Institute of Physics. DOI: 10.1063/1.2717934

Renner-Teller/Jahn-Teller intersections along the collinear axes of polyatomic molecules: C2H2+ as a case study