Quick Navigation

Overview Topics Abstract Importance Paper Tools References Reactions Discussion Publication Related

Topics

Quantum Chemistry

[A quantum chemical study of pi-back-donation bond and Raman intensity of 1 sigma + electronic state of Pt-CO molecule].

PubMed
Authors: Wu D, Xu X, Ren B, Cao Z, Shi P, Tian Z

Year

2000

Paper ID

13310

Status

Peer-reviewed

Abstract Read

~2 min

Abstract Words

96

Citations

0

Abstract

The Raman spectroscopic properties of Pt-CO molecule have been investigated based on the electronic state 1 sigma + determined by the HF and B3LYP methods. The result shows that the calculated stretching vibrational frequencies of the Pt-C and C-O bonds depend on the method and the basis sets used. It indicates that it is important to adopt an appropriate method to describe pi-donation and pi-back-donation bond. The result of the differential Raman scattering cross section for the stretching vibrations of the Pt-C and C-O bond shows that the latter is significantly larger value compared to the former.

Why This Paper Matters

  • This paper contributes to the Quantum Chemistry research area in the Quantum Articles archive.
  • It adds a 2000 reference point for readers tracking recent quantum research.
  • The Raman spectroscopic properties of Pt-CO molecule have been investigated based on the electronic state 1 sigma + determined by the HF and B3LYP methods.

Paper Tools

Become a member to use research tools

Sign in to open papers, visit source links, share, cite, compare, copy DOI links, request category corrections, and build your reading list.

Become a member Sign in
Publisher Share Cite This Paper Copy URL Compare Copy DOI Add to Reading List Category Correction Request

References & Citation Signals

[1] DOI https://doi.org/PubMed:12938471 [2] Publisher https://pubmed.ncbi.nlm.nih.gov/12938471/

Local Citation Graph (Related-Paper Links)

Current Paper #13310 #69042 Simultaneous Fragment Docking f... #69037 Spin dynamics and ortho-para co... #69012 Projector Quantum Variational A... #69006 Elucidating the Control of Circ...

External citation index: OpenAlex citation signal • updated 2026-06-19 16:41:27

Community Reactions

Quick sentiment from readers on this paper.

Score: 0
Likes: 0 Dislikes: 0

Sign in to react to this paper.

Discussion & Reviews (Moderated)

Average Rating: 0.0 / 5 (0 ratings)

No written reviews yet.