Journal ArticleDOI
Topological effects in low-lying electronic states of linear N2H2 + and HBNH+ associated with onset of bending
TLDR
In this paper, the authors investigated the topological effects of Renner-Teller conical interactions in slightly bent N2H2+ and HBNH+ and found that the appearance of JT-CIs is in molecular plane while for N 2H2+, in certain nonplanar configuration, in sharp contrast to th...Abstract:
The current decade has seen illuminating and extensive study of interplay of topological effects such as Renner–Teller and Jahn–Teller (JT) effects in small molecules. Study of such effects in HCNH molecule showed an interesting feature that for slightly bent system, a pair of JT conical interactions (CIs) appear only for certain nonplanar configuration, in contrast to its appearance in CS configuration (molecular plane) for C2H2+. Moreover, since the feature of appearance of JT-CIs in two 2Σ+ states of HCNH in some bent configuration may be critically associated to the abundance of HNC in interstellar spaces, as advocated recently by Das and Mukhopadhyay (J. Phys. Chem. 117, 8680 (2013)), the interest in such topological studies have remained relevant. In this article we have investigated such topological effects for slightly bent N2H2+ and HBNH+. Interestingly, the appearance of JT-CIs are, for HBNH+, in molecular plane while for N2H2+, in certain nonplanar configuration, in sharp contrast to th...read more
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Topological studies related to molecular systems formed during the Big Bang: H3+ as an example
Posted Content
On the Aspect of Plane of Appearance of Jahn Teller and Renner Teller Intersections in Tetra Atomic System A Case Study with HCNO-PLUS
TL;DR: In this article, the authors investigate the relationship between JTCI and RTPI in the linear tetra-atomic molecular system with slightly bent HCNOplus, a motivated choice of tetraatomic with all four different atoms.
Journal ArticleDOI
On the aspect of plane of appearance of Jahn-Teller and Renner-Teller intersections in tetra-atomic system-A case study with HCNO +
TL;DR: In this paper, the authors investigate the relationship between JTCI and RTPI in the linear tetra-atomic molecular system with slightly bent HCNOplus, a motivated choice of tetraatomic with all four different atoms.
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