The Jahn–Teller effect in the presence of partial isotopic substitution: the 1E′′ state of NH2D and NHD2
Literature Information
Ashim Kumar Saha, Gautam Sarma, Chung-Hsin Yang, Sebastiaan Y. T. van de Meerakker, David H. Parker, Colin M. Western
Rotationally resolved resonance enhanced multiphoton ionisation spectra of the 1E′′ state of NH2D are presented and analysed. The analysis indicates a small (34.9 cm−1) lifting of the vibronic degeneracy of the zero point level, approximately equal in sign but opposite in magnitude to the splitting observed in NHD2 in previous work. This observation is consistent with previous measurements on systems with partial isotopic substitution subject to a mild Jahn–Teller effect. A model is developed to calculate the splitting induced by asymmetric isotopic substitution of a degenerate electronic state, based on a harmonic force field with linear and quadratic Jahn–Teller terms added. The force field is developed in internal co-ordinates to allow the same parameters to be used to calculate the pattern of vibronic levels for all four isotopologues. The lifting of the degeneracy of the zero point level on asymmetric substitution comes from the quadratic Jahn–Teller effect; the linear term does not lift the degeneracy.
Related Literature
Facile, efficient synthesis of a phosphinated hydroxyl diamine and properties of its high-performance poly(hydroxyl imides) and polyimide–SiO2 hybrids
Po Jen Wang, Sheng Lung Chang, Shao-Ju Shih
DOI: 10.1039/C2PY20156A
Flow-oriented synthetic design in the continuous preparation of the aryl piperazine drug flibanserin
Péter Bana, Áron Szigetvári, János Kóti, János Éles, István Greiner
DOI: 10.1039/C8RE00266E
Base-free, tunable, Au-catalyzed oxidative esterification of alcohols in continuous flow
Felicity J. Roberts, Christian Richard, Fessehaye W. Zemichael, King Kuok (Mimi) Hii, Klaus Hellgardt, Colin Brennan, David A. Sale
DOI: 10.1039/C8RE00085A
Kinetic modelling for the hydrogenolysis of bio-glycerol in the presence of a highly selective Cu–Ni–Al2O3 catalyst in a slurry reactor
Smita Mondal, Himanshu Malviya, Prakash Biswas
DOI: 10.1039/C8RE00138C
Experimental carbonation of CaO in an entrained flow reactor
Jorge Plou, Isabel Martínez, Gemma S. Grasa, Ramón Murillo
DOI: 10.1039/C9RE00015A
Facile synthesis of soluble nonlinear polymers with glycogen-like structures and functional properties from “simple” acrylic monomers
Herman H. Y. Sung, Ian D. Williams, Matthew M. F. Yuen
DOI: 10.1039/C2PY20485A
Star polypeptides by NCA polymerisation from dendritic initiators: synthesis and enzyme controlled payload release
Mark Byrne, Paul D. Thornton, Sally-Ann Cryan, Andreas Heise
DOI: 10.1039/C2PY20327H
Detailed kinetics of substituted phenolic species in pyrolysis bio-oils
Matteo Pelucchi, Carlo Cavallotti, Alberto Cuoci, Tiziano Faravelli, Alessio Frassoldati, Eliseo Ranzi
DOI: 10.1039/C8RE00198G
Self-assembly of binary particles and application as structural colors
Zhehong Shen, Youyou Yang, Fengzhu Lu, Binfu Bao, Bo You
DOI: 10.1039/C2PY20305G
You might also like
What regulatory guidelines apply to 6-Bromo-2-methylimidazo[1,2-a]pyrimidine (CAS: 1111638-05-1)?
6-Bromo-2-methylimidazo[1,2-a]pyrimidine (CAS: 1111638-05-1) falls under various...
Are there alternatives to 1-Pyrrolidineethanol, β-methyl-α-phenyl-, (αS,βR) (CAS: 123620-80-4) in synthesis?
While there are no direct alternatives, similar compounds like 1-Pyrrolidineetha...
Is 4-Methyl-2,6-bis(2-methyl-2-propanyl)phenyl methylcarbamate (CAS: 1918-11-2) safe?
4-Methyl-2,6-bis(2-methyl-2-propanyl)phenyl methylcarbamate (CAS: 1918-11-2) is ...
How should 2-(3-Bromo-4-fluorophenyl)-1,3-dioxolane (CAS: 77771-04-1) be stored?
2-(3-Bromo-4-fluorophenyl)-1,3-dioxolane (CAS: 77771-04-1) should be stored in a...
What are the physical and chemical properties of 4,5,6,7-Tetrahydro-1H-indazole hydrochloride (CAS: 18161-11-0)?
4,5,6,7-Tetrahydro-1H-indazole hydrochloride is a white crystalline solid with a...
What is (2R)-1-Methoxy-3-phenyl-2-propanamine (CAS: 59919-07-2)?
(2R)-1-Methoxy-3-phenyl-2-propanamine is a chiral organic compound with the CAS ...
What industries use Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate (CAS: 56649-47-9)?
Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate is used in various industries...
What regulatory guidelines apply to 4-[(1E,3S)-1-(4-Hydroxyphenyl)-1,4-pentadien-3-yl]phenol (CAS: 17676-24-3)?
4-[(1E,3S)-1-(4-Hydroxyphenyl)-1,4-pentadien-3-yl]phenol (CAS: 17676-24-3) falls...
What industries use (S)-3-Amino-5-phenylpentanoic acid hydrochloride (CAS: 331846-97-0)?
(S)-3-Amino-5-phenylpentanoic acid hydrochloride is primarily used in the pharma...
How is 7-methoxy-1-benzothiophene-2-carboxylic acid (CAS: 88791-07-5) typically synthesized?
7-Methoxy-1-benzothiophene-2-carboxylic acid is typically synthesized by reactin...
Source Journal
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.














