The decomposition of benzenesulfonyl azide: a matrix isolation and computational study
文献情報
Guohai Deng, Xuelin Dong, Qifan Liu, Dingqing Li, Hongmin Li, Qiao Sun, Xiaoqing Zeng
The thermal-decomposition and photo-decomposition of benzenesulfonyl azide, PhS(O)2N3, have been studied by combining matrix-isolation IR spectroscopy and quantum chemical calculations. Upon flash vacuum pyrolysis at 800 K, the azide splits off molecular nitrogen and exclusively furnishes phenylnitrene (PhN) and SO2 in the gas phase. In contrast, the azide favors stepwise photodecomposition in solid Ar and Ne matrices at 2.8 K. Specifically, the UV laser photolysis (193 and 266 nm) of PhS(O)2N3 results in the formation of the key nitrene intermediate PhS(O)2N in the triplet ground state, which undergoes pseudo-Curtius rearrangement into N-sulfonyl imine PhNSO2 under subsequent visible light irradiation (380–450 nm). Further fragmentation of PhNSO2 into SO2 and PhN followed by ring-expansion to didehydroazepine also occurs upon visible light irradiation. The preference of the stepwise mechanism for the decomposition of PhS(O)2N3 is supported by quantum chemical calculations using DFT B3LYP/6-311++G(3df,3pd) and CBS-QB3 methods.
関連文献
Oxygen tolerant, photoinduced controlled radical polymerization approach for the synthesis of giant amphiphiles
Alexis Theodorou, Petros Mandriotis, Athina Anastasaki, Kelly Velonia
DOI: 10.1039/D0PY01608J
Synthesis of well-defined diblock copolymer nano-objects by RAFT non-aqueous emulsion polymerization of N-(2-acryloyloxy)ethyl pyrrolidone in non-polar media
R. R. Gibson, A. Fernyhough, O. M. Musa, S. P. Armes
DOI: 10.1039/D1PY00572C
Heterobimetallic Au(i)/Y(iii) single chain nanoparticles as recyclable homogenous catalysts
Josina L. Bohlen, Bragavie Kulendran, Hannah Rothfuss, Peter W. Roesky
DOI: 10.1039/D1PY00552A
Improved enantioselectivity in thiol–ene photopolymerization of sulphur-containing polymers with circularly polarized luminescence
Chen-Lu He, Zeyu Feng, Yan Li, Manman Zhou, Liyang Zhao, Sizhen Shan, Mengqiao Wang, Xin Chen, Xi-Sheng Wang, Gang Zou
DOI: 10.1039/D1PY00082A
Photo cleavable thioacetal block copolymers for controlled release
Yongjun Men, Tobias G. Brevé, Antonia G. Denkova, Rienk Eelkema
DOI: 10.1039/D1PY00514F
Facile construction of noncovalent graft copolymers with triple stimuli-responsiveness for triggered drug delivery
Lei Xu, Hairong Wang, Hongrui Tian, Mingzu Zhang, Jinlin He, Peihong Ni
DOI: 10.1039/D1PY00135C
RAFT polymerisation of trifluoroethylene: the importance of understanding reverse additions
Marc Guerre, Cédric Totée, Gilles Silly, Olinda Gimello, Bruno Améduri, Jean-François Tahon, Rinaldo Poli, Sophie Barrau, Vincent Ladmiral
DOI: 10.1039/D0PY01754J
The effect of alkyl chain lengths on the red-to-near-infrared emission of boron-fused azomethine conjugated polymers and their film-state stimuli-responsivities
Shunsuke Ohtani, Natsumi Yamada, Masayuki Gon, Kazuo Tanaka, Yoshiki Chujo
DOI: 10.1039/D1PY00213A
Understanding and controlling the glass transition of HTPB oligomers
Eleftheria Dossi, Jacob Earnshaw, Laurence Ellison, Gabriella Rabello dos Santos, Hamish Cavaye, Douglas J. Cleaver
DOI: 10.1039/D1PY00233C
Modeling ultrasound-induced molecular weight decrease of polymers with multiple scissile azo-mechanophores
Mathieu A. Ayer, Cheyenne H. Liu, Christoph Weder
DOI: 10.1039/D1PY00420D
こちらもおすすめ
2-ブロモ-9,9-ジフェニル-9H-フルオレンの主な用途は何ですか?
2-溴-9,9-二苯基芴は、医薬品、工業材料、有機合成の研究分野で応用されます。特に、レーザー材料や機能性ポリマーの合成に使用されることがあります。また、蛍光色...
四氯化铱の市場動向や研究トレンドはどうですか?
四氯化铱の市場は研究開発分野で注目されており、特にナノ技術や金属有機框架(MOFs)の分野での需要が増加傾向にあります。価格は安定しており、中国や韓国での生産が...
1-(4-溴-3-氟苯基)-2-氯乙酮を含む廃棄物はどのように処理すべきですか?
1-(4-溴-3-氟苯基)-2-氯乙酮 (CAS番号: 1260857-14-4) の廃棄物は専門的な廃棄処理が必要です。まず、廃棄物は密閉された容器に収集し、...
苦参酚Kとは何ですか?
苦参酚Kは、CAS番号101236-49-1を持つ化合物で、主に天然由来の生薬から抽出されます。この化合物は、抗炎症作用や抗癌作用を持つことが報告されています。
POTASSIUM (1-(TERTBUTOXYCARBONYL)AZETIDIN-3-YL)TRIFLUOROBORATE を含む廃棄物はどのように処理すべきですか?
POTASSIUM (1-(TERTBUTOXYCARBONYL)AZETIDIN-3-YL)TRIFLUOROBORATE を含む廃棄物は、まず安全なエント...
4-庚基-4’-联苯羧酸の市場動向や研究トレンドはどうですか?
4-庚基-4’-聯苯羧酸は、特殊化学品や合成化学の分野で用いられる化学物質ですが、市場動向としては、研究開発の進展とともに需要が増加しています。また、環境配慮型...
6-ブロモ-3-メトキシ-1-フェニル-1H-インドゾールを含む廃棄物はどのように処理すべきですか?
6-ブロモ-3-メトキシ-1-フェニル-1H-インドゾールを含む廃棄物は、適切な化学廃棄処理が必要です。通常、廃棄物は密閉容器に収集され、専門の廃棄処理業者に引...
4,4-二甲基-2-吡咯烷酮はどの業界で使用されていますか?
4,4-二甲基-2-吡咯烷酮は医薬、ポリマー、センサー、半導体などの業界で広く使用されています。特に溶媒としての性能が高く評価されています。
掲載誌
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.










![[4-Amino-2-(methylsulfanyl)-5-pyrimidinyl]methanol structure [4-Amino-2-(methylsulfanyl)-5-pyrimidinyl]methanol structure](https://static.chemtradehub.com/structs/588/588-36-3-fc73.webp)



