Analysis of Two Infrared Bands of CHD.

J Res Natl Bur Stand A Phys Chem

Published: February 1963

Two infrared absorption bands of CHD have been analyzed in the semirigid rotor approximation. These are the A-type band at 2671.67 cm and the C-type band at 4425.61 cm. The A-type band has previously been assigned as + , and the C-type band is tentatively assigned as + The upper state of the A-type band is perturbed presumably by the close lying level 2 . This interaction has not been investigated. The following values were found for the rotational constants of the ground vibrational state: =4.303 cm, = 3.504 cm, = 3.049 cm.

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5324955PMC
http://dx.doi.org/10.6028/jres.067A.004DOI Listing

Publication Analysis

Top Keywords

a-type band
12
bands chd
8
c-type band
8
band
5
analysis infrared
4
infrared bands
4
chd infrared
4
infrared absorption
4
absorption bands
4
chd analyzed
4

Similar Publications

Effect of the TiCT (T = O, OH, and H) Functionalization on the Formation of (TiO)/TiCT Composites.

J Phys Chem C Nanomater Interfaces

January 2025

Departament de Ciència de Materials i Química Física & Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, c/Martí i Franquès 1-11, 08028 Barcelona, Spain.

First-principles density functional theory calculations are carried out on the (TiO) cluster supported on the TiCT (0001) surface with different chemical terminations, , -H, -O, and -OH, to study the interaction and understand the TiCT functionalization effect on the formation of (TiO)/TiCT composites. Results show an exothermic interaction for all cases, whose strength is driven by the surface termination, promoting weaker bonds when the MXene is functionalized with H atoms. For TiCH and TiC(OH) MXenes, the interaction is accompanied by a charge transfer towards the titania cluster.

View Article and Find Full Text PDF

This study investigated the effect of fermentation durations (24,48 and 72 h) on the microstructure and nutritional quality of acha flour and resultant cookies. Results showed that there were significant differences (p < 0.05) in the functional and pasting properties of the flour and cookies samples.

View Article and Find Full Text PDF

Band Tailoring Enabled Perovskite Devices for X-Ray to Near-Infrared Photodetection.

Adv Sci (Weinh)

January 2025

School of Integrated Circuits and Beijing National Research Center for Information Science and Technology (BNRist), Tsinghua University, Beijing, 100084, China.

Perovskite semiconductors have shown significant promise for photodetection due to their low effective carrier masses and long carrier lifetimes. However, achieving balanced detection across a broad spectrum-from X-rays to infrared-within a single perovskite photodetector presents challenges. These challenges stem from conflicting requirements for different wavelength ranges, such as the narrow bandgap needed for infrared detection and the low dark current necessary for X-ray sensitivity.

View Article and Find Full Text PDF

The exploration of photocatalytic materials with efficient charge separation has always been a prominent area of research in photocatalysis. In the preceding years, the strategy of constructing donor-acceptor (D-A) structured materials has gradually been developed in photocatalytic systems, becoming a new research crossroads and attracting extensive interdisciplinary focus. Polymeric carbon nitride (PCN) has gradually been recognized as the primary photocatalytic material for constructing D-A structures due to its attractive exceptional physicochemical stability, electronic band structure, and cost-effectiveness.

View Article and Find Full Text PDF

The tunable electronic band structure of a AlP/CsBiICl van der Waals heterostructure induced by an electric field: a first-principles study.

Phys Chem Chem Phys

January 2025

Key Laboratory of Hunan Province on Information Photonics and Freespace Optical Communications, School of Physics and Electronics Science, Hunan Institute of Science and Technology, Yueyang 414006, People's Republic of China.

Constructing van der Waals heterostructures (vdWHs) has emerged as an attractive strategy to combine and enhance the optoelectronic properties of stacked materials. Herein, by means of first-principles calculations, we investigate the geometric and electronic structures of the AlP/CsBiICl vdWH as well as its tunable band structure an external electric field. The AlP/CsBiICl vdWH is structurally and thermodynamically stable due to the low binding energy and the small energy fluctuation at room temperature.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!