Reference

Vibrational Analysis of Vacuum Ultraviolet Mass-Analyzed Threshold Ionization Spectra of Phenylacetylene and Benzonitrile

Vibrational Analysis of Vacuum Ultraviolet Mass-Analyzed Threshold Ionization Spectra of Phenylacetylene and Benzonitrile. Kwon, Chan Ho; Kim, Hong Lae; Kim, Myung Soo (National Creative Research Initiative Center for Control of Reaction Dynamics and School of Chemistry, Seoul National University, Seoul 151-742, S. Korea). Journal of Physical Chemistry A, 107(50), 10969-10975 (English) 2003 American Chemical Society. CODEN: JPCAFH. ISSN: 1089-5639. DOCUMENT TYPE: Journal CA Section: 22 (Physical Organic Chemistry) Section cross-reference(s): 73 One-photon MATI spectra of phenylacetylene and benzonitrile were obtained by using vacuum UV radiation generated by four-wave difference frequency mixing in Kr. Accurate ionization energies of phenylacetylene and benzonitrile were detd. from the positions of the 0-0 bands, which are 8.8195 ± 0.0006 and 9.7288 ± 0.0006 eV, resp. Vibrational frequencies of the mol. ions were detd. from the spectra also. Assignments were made by utilizing the symmetry selection rule and frequencies and Franck-Condon factors calcd. at the BP86, B3LYP, and B3PW91 d. functional theory levels with the 6-311++G(2df,2pd) basis set.

Process for preparing nitriles by elimination reactions

Meudt, Andreas; Nerdinger, Sven; Boehm, Claudius (Archimica G.m.b.In this study， 121-69-7 and 121-44-8 are also used.H., Germany). PCT Int. Appl. WO 2007012387 A1 1 Feb 2007, 16pp. DESIGNATED STATES: W: AE, AG, AL, AM, AT, AU, AZ, BA, BB, BG, BR, BW, BY, BZ, CA, CH, CN, CO, CR, CU, CZ, DK, DM, DZ, EC, EE, EG, ES, FI, GB, GD, GE, GH, GM, HN, HR, HU, ID, IL, IN, IS, JP, KE, KG, KM, KN, KP, KR, KZ, LA, LC, LK, LR, LS, LT, LU, LV, LY, MA, MD, MG, MK, MN, MW, MX, MZ, NA, NG, NI, NO, NZ, OM, PG, PH, PL, PT, RO, RS, RU, SC, SD, SE, SG, SK, SL, SM, SY, TJ, TM, TN, TR, TT, TZ, UA, UG, US, UZ, VC, VN; RW: AT, BE, BF, BJ, CF, CG, CH, CI, CM, CY, DE, DK, ES, FI, FR, GA, GB, GR, IE, IS, IT, LU, MC, ML, MR, NE, NL, PT, SE, SN, TD, TG, TR. (German). (World Intellectual Property Organization). CODEN: PIXXD2. APPLICATION: WO 2006-EP6548 5 Jul 2006. PRIORITY: DE 2005-102005035250 25 Jul 2005. DOCUMENT TYPE: Patent CA Section: 25 (Benzene, Its Derivatives, and Condensed Benzenoid Compounds) Process for prepg. nitriles (R-CYN; R = substituted linear or branched C1-12- alkyl, C3-12 cycloalkyl, alkenyl, alkynyl, aryl or heteroaryl) by reacting N-alkylcarboxamides, ammonium salts of carboxylic acids or carboxylic acids in the presence of alkylamines or ammonium salts with phosphonic anhydrides in the presence if desired of a base in an org. solvent at a temp. in the range from -30 to 180°C. The phosphonic anhydride used is in particular a 2,4,6-substituted 1,3,5,2,4,6-trioxatriphosphinane 2,4,6-trioxide. Benzonitrile was obtained by elimination of benzoic acid with tert-butylamine, in the presence of triethylamine and phosphonic anhydride. .